4-(2-methoxyphenyl)-1-phenylbutan-1-ol

C17H20O2 — CID 64513742

IUPAC4-(2-methoxyphenyl)-1-phenylbutan-1-ol
SMILESCOc1ccccc1CCCC(O)c1ccccc1
InChIInChI=1S/C17H20O2/c1-19-17-13-6-5-10-15(17)11-7-12-16(18)14-8-3-2-4-9-14/h2-6,8-10,13,16,18H,7,11-12H2,1H3
InChIKeyUKHTYNSAADHHAR-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.75
Rot. Bonds6

About 4-(2-methoxyphenyl)-1-phenylbutan-1-ol

4-(2-methoxyphenyl)-1-phenylbutan-1-ol (PubChem CID 64513742) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1-phenylbutan-1-ol.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1-phenylbutan-1-ol
PubChem CID64513742
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name4-(2-methoxyphenyl)-1-phenylbutan-1-ol
SMILESCOc1ccccc1CCCC(O)c1ccccc1
InChIInChI=1S/C17H20O2/c1-19-17-13-6-5-10-15(17)11-7-12-16(18)14-8-3-2-4-9-14/h2-6,8-10,13,16,18H,7,11-12H2,1H3
InChIKeyUKHTYNSAADHHAR-UHFFFAOYSA-N
XLogP3.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
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N-[3-(2-methoxyphenyl)propyl]-3,3-diphenylpropan-1-amine
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1-(4-chlorohexyl)-2-methoxybenzene
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5-(2-methoxyphenyl)pentanoic acid
CID 25050817
7-(2-methoxyphenyl)heptanoic acid
CID 59451681
1-(2-methoxyphenyl)-5-phenylpentan-2-ol
CID 62606153
5-(2-methoxyphenyl)pentane-2,3-diol
CID 83929090
4-(2-methoxyphenyl)-2-phenylbutan-1-amine
CID 81010261
1-[4-(difluoromethyl)phenyl]-2-(2-methoxyphenyl)ethanol
CID 115524903
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanol
CID 63018829

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1-phenylbutan-1-ol?
The IUPAC name of 4-(2-methoxyphenyl)-1-phenylbutan-1-ol (CID 64513742) is 4-(2-methoxyphenyl)-1-phenylbutan-1-ol.
What is the SMILES notation for 4-(2-methoxyphenyl)-1-phenylbutan-1-ol?
The canonical SMILES for 4-(2-methoxyphenyl)-1-phenylbutan-1-ol is COc1ccccc1CCCC(O)c1ccccc1.
What is the InChIKey of 4-(2-methoxyphenyl)-1-phenylbutan-1-ol?
The InChIKey is UKHTYNSAADHHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-19-17-13-6-5-10-15(17)11-7-12-16(18)14-8-3-2-4-9-14/h2-6,8-10,13,16,18H,7,11-12H2,1H3.
What are the key properties of 4-(2-methoxyphenyl)-1-phenylbutan-1-ol?
4-(2-methoxyphenyl)-1-phenylbutan-1-ol has a molecular weight of 256.35 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1-phenylbutan-1-ol is sourced from PubChem (CID 64513742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).