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1- (hydroxy (phenyl) methyl) cyclohexanecarbonitrile

CAT: 0127-OR1083686-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1083686-03Size:1 g
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CAS Number
1446698-59-4
Purity
95%
Smiles
C1C (CCCC1) (C#N) C (c1ccccc1) O

Chemical Information

1-(Hydroxyphenylmethyl)cyclohexanecarbonitrile
CAS Number1446698-59-4
PubChem CID79136568
IUPAC Name1-[hydroxy(phenyl)methyl]cyclohexane-1-carbonitrile
Molecular FormulaC14H17NO
Molecular Weight215.29
XLogP2.7
Topological Polar Surface Area44
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity266
SMILES
C1CCC(CC1)(C#N)C(C2=CC=CC=C2)O
InChI
InChI=1S/C14H17NO/c15-11-14(9-5-2-6-10-14)13(16)12-7-3-1-4-8-12/h1,3-4,7-8,13,16H,2,5-6,9-10H2
InChIKey
TVBZZEXVEXJWRL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(Hydroxyphenylmethyl)cyclohexanecarbonitrile
CAS: 1446698-59-4
CID: 79136568
Formula: C14H17NO
MW: 215.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight215.29
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass215.131014166
Monoisotopic Mass215.131014166
Topological Polar Surface Area44 Ų
Heavy Atom Count16
Formal Charge0
Complexity266
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
FH 1G 0120-01Methyl 2-[2-[hydroxy (phenyl) methyl]-N-[2-[hydroxy (phenyl) methyl]phenyl]anilino]benzoate
FH 1G 0124-01[2-[2-[hydroxy (phenyl) methyl]-N-[2-[hydroxy (phenyl) methyl]phenyl]anilino]phenyl]-phenylmethanol
TYD-04546-01[Hydroxy (phenyl) methyl]succinyl-CoA
AR-K01049-012- (3- (hydroxy (phenyl) methyl) phenyl) propanoicacid
FH 1G 0121-012-[2-[2-[hydroxy (phenyl) methyl]-N-[2-[hydroxy (phenyl) methyl]phenyl]anilino]phenyl]propan-2-ol
sc-306467A2-{4-[Hydroxy (phenyl) methyl]phenyl}-2-phenylacetonitrile
FH FA 0031-01[2-[2-[hydroxy (diphenyl) methyl]phenyl]phenyl]-diphenylmethanol
FH HG 00A5-01[4-[4-[hydroxy (diphenyl) methyl]-N-[4-[hydroxy (diphenyl) methyl]phenyl]anilino]phenyl]-diphenylmethanol
9080033‐(HYDROXY METHYL) PHENYL BORONIC ACID
ZAA74497-01Ethyl 2-[hydroxy (phenyl) methyl]butanoate

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