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

C18H22O — CID 82088502

IUPAC3-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CCO)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H22O/c1-13-4-7-16(8-5-13)18(10-11-19)17-9-6-14(2)15(3)12-17/h4-9,12,18-19H,10-11H2,1-3H3
InChIKeyBUXOCUGRLHYXLH-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.13
Rot. Bonds4

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

3-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol (PubChem CID 82088502) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol
PubChem CID82088502
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name3-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CCO)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H22O/c1-13-4-7-16(8-5-13)18(10-11-19)17-9-6-14(2)15(3)12-17/h4-9,12,18-19H,10-11H2,1-3H3
InChIKeyBUXOCUGRLHYXLH-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-(3,4-dimethylphenyl)decyl]-1,2-dimethylbenzene
CID 23336050
1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 105091644
3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-ol
CID 82082551
3-(4-methylphenyl)-3-(1H-pyrrol-2-yl)propan-1-ol
CID 102106357
3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 82092111
4-[1-(3,4-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
CID 66090823
3-(3,4-dimethylphenyl)-3-phenylpropanoic acid
CID 166063960
2-[(1S)-3-hydroxy-1-phenylpropyl]-4-methylphenol
CID 16754102
2-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 82023265
N-[(3,4-dimethylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43488020
1-(2,5-dimethylphenyl)butane-1,2,4-triol
CID 171871856
(3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol
CID 102297952

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol (CID 82088502) is 3-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol is Cc1ccc(C(CCO)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol?
The InChIKey is BUXOCUGRLHYXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-13-4-7-16(8-5-13)18(10-11-19)17-9-6-14(2)15(3)12-17/h4-9,12,18-19H,10-11H2,1-3H3.
What are the key properties of 3-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol?
3-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol has a molecular weight of 254.37 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 82088502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).