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4-Phenyl-2-butanol

CAT: 0926-FP45818-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0926-FP45818-01Size:50 g
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CAS Number
2344-70-9
Synonyms
Phenylethyl methyl carbinol; (+/-) -4-Phenyl-2-butanol; 4-Phenylbutan-2-ol
MDL Number
MFCD00044349
Smiles
CC (CCC1=CC=CC=C1) O
Molecular Formula
C10H14O
Molecular Weight
150.22 g/mol
Controlled
No

Chemical Information

4-Phenyl-2-butanol

4-Phenyl-2-butanol is a member of benzenes.

CAS Number2344-70-9
PubChem CID61302
IUPAC Name4-phenylbutan-2-ol
Molecular FormulaC10H14O
Molecular Weight150.22
XLogP2.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity95
SMILES
CC(CCC1=CC=CC=C1)O
InChI
InChI=1S/C10H14O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKey
GDWRKZLROIFUML-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Phenyl-2-butanol
CAS: 2344-70-9
CID: 61302
Formula: C10H14O
MW: 150.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.22
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass150.104465066
Monoisotopic Mass150.104465066
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity95
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
OR451309-014-Phenyl-2-butanol
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sc-229224(S) - (+) -4-Phenyl-2-butanol
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sc-2255302-Phenyl-2-butanol
TRC-P309000-50G4-Phenyl-1-butanol
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