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4- (6-Hydroxyhexyloxy) -4'-methoxybiphenyl

CAT: 0024-sc-486887Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-486887Size:1 g
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CAS Number
106869-53-8

Chemical Information

4-(6-Hydroxyhexyloxy)-4'-methoxybiphenyl
CAS Number106869-53-8
PubChem CID44630340
IUPAC Name6-[4-(4-methoxyphenyl)phenoxy]hexan-1-ol
Molecular FormulaC19H24O3
Molecular Weight300.4
XLogP4.2
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count22
Formal Charge0
Complexity266
SMILES
COC1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCCO
InChI
InChI=1S/C19H24O3/c1-21-18-10-6-16(7-11-18)17-8-12-19(13-9-17)22-15-5-3-2-4-14-20/h6-13,20H,2-5,14-15H2,1H3
InChIKey
DZAPEPIBAAMUIJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(6-Hydroxyhexyloxy)-4'-methoxybiphenyl
CAS: 106869-53-8
CID: 44630340
Formula: C19H24O3
MW: 300.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight300.4
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass300.17254462
Monoisotopic Mass300.17254462
Topological Polar Surface Area38.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity266
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes