1-(4-methoxy-3-methylphenyl)-2-phenylbutan-1-ol

C18H22O2 — CID 61082848

IUPAC1-(4-methoxy-3-methylphenyl)-2-phenylbutan-1-ol
SMILESCCC(c1ccccc1)C(O)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H22O2/c1-4-16(14-8-6-5-7-9-14)18(19)15-10-11-17(20-3)13(2)12-15/h5-12,16,18-19H,4H2,1-3H3
InChIKeyACHWCPCZKSMWQF-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.23
Rot. Bonds5

About 1-(4-methoxy-3-methylphenyl)-2-phenylbutan-1-ol

1-(4-methoxy-3-methylphenyl)-2-phenylbutan-1-ol (PubChem CID 61082848) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-2-phenylbutan-1-ol
PubChem CID61082848
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-(4-methoxy-3-methylphenyl)-2-phenylbutan-1-ol
SMILESCCC(c1ccccc1)C(O)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H22O2/c1-4-16(14-8-6-5-7-9-14)18(19)15-10-11-17(20-3)13(2)12-15/h5-12,16,18-19H,4H2,1-3H3
InChIKeyACHWCPCZKSMWQF-UHFFFAOYSA-N
XLogP4.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol
CID 65186149
1-(3-chloro-4-methylphenyl)-2-phenylbutan-1-ol
CID 107562241
ethyl 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]butanoate
CID 62393496
1-(5-fluoro-2-methoxyphenyl)-2-phenylbutan-1-ol
CID 61086906
1-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82313813
1-(3,4-dichlorophenyl)-2-phenylbutan-1-ol
CID 55197519
2-hydroxy-2-(4-methoxy-3-methylphenyl)-1-phenylethanone
CID 129094734
3,4-dihydroxy-4-(4-methoxy-3-methylphenyl)butanamide
CID 171899098
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
(1S)-1-(4-methoxy-3-methylphenyl)butan-1-ol
CID 39239112
2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-phenylethanone
CID 129094735
1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-ol
CID 115828571

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-2-phenylbutan-1-ol?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-2-phenylbutan-1-ol (CID 61082848) is 1-(4-methoxy-3-methylphenyl)-2-phenylbutan-1-ol.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-2-phenylbutan-1-ol?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-2-phenylbutan-1-ol is CCC(c1ccccc1)C(O)c1ccc(OC)c(C)c1.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-2-phenylbutan-1-ol?
The InChIKey is ACHWCPCZKSMWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-4-16(14-8-6-5-7-9-14)18(19)15-10-11-17(20-3)13(2)12-15/h5-12,16,18-19H,4H2,1-3H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-2-phenylbutan-1-ol?
1-(4-methoxy-3-methylphenyl)-2-phenylbutan-1-ol has a molecular weight of 270.37 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-2-phenylbutan-1-ol is sourced from PubChem (CID 61082848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).