1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol

C18H22O — CID 105091644

IUPAC1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(CCC(O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H22O/c1-13-4-7-16(8-5-13)9-11-18(19)17-10-6-14(2)15(3)12-17/h4-8,10,12,18-19H,9,11H2,1-3H3
InChIKeyLQVVVGPMHROIME-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.28
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol

1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol (PubChem CID 105091644) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol
PubChem CID105091644
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(CCC(O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H22O/c1-13-4-7-16(8-5-13)9-11-18(19)17-10-6-14(2)15(3)12-17/h4-8,10,12,18-19H,9,11H2,1-3H3
InChIKeyLQVVVGPMHROIME-UHFFFAOYSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 107562190
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-1-ol
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1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol
CID 65148452
1-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol
CID 105093256
1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol
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1-(3,4-dimethylphenyl)-4-methylpentan-1-ol
CID 61100498
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,4-dimethylphenyl)propan-1-ol
CID 65447174
1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol
CID 114979043
3-(4-methylphenyl)-1-quinolin-7-ylpropan-1-ol
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(1R)-2-chloro-1-(3,4-dimethylphenyl)ethanol
CID 83000699
1-[3-(hydroxymethyl)-4-methylphenyl]-5-[4-(4-methylanilino)phenyl]pentan-1-ol
CID 20605088
3-(3-ethoxy-4-methoxyphenyl)-1-(4-methylphenyl)propan-1-ol
CID 82185656

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol (CID 105091644) is 1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol is Cc1ccc(CCC(O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol?
The InChIKey is LQVVVGPMHROIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-13-4-7-16(8-5-13)9-11-18(19)17-10-6-14(2)15(3)12-17/h4-8,10,12,18-19H,9,11H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol?
1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol has a molecular weight of 254.37 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 105091644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).