1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)propan-1-ol

C17H19ClO — CID 107562190

IUPAC1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(CCC(O)c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C17H19ClO/c1-12-3-6-14(7-4-12)8-10-17(19)15-9-5-13(2)16(18)11-15/h3-7,9,11,17,19H,8,10H2,1-2H3
InChIKeyJIPLLQFMUNYCFB-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.62
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)propan-1-ol

1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)propan-1-ol (PubChem CID 107562190) has the molecular formula C17H19ClO and a molecular weight of 274.79 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)propan-1-ol
PubChem CID107562190
Molecular FormulaC17H19ClO
Molecular Weight274.79 g/mol
Exact Mass274.11
IUPAC Name1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(CCC(O)c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C17H19ClO/c1-12-3-6-14(7-4-12)8-10-17(19)15-9-5-13(2)16(18)11-15/h3-7,9,11,17,19H,8,10H2,1-2H3
InChIKeyJIPLLQFMUNYCFB-UHFFFAOYSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol
CID 114979043
1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 105091644
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 105084361
2-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)ethanol
CID 63519474
1-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol
CID 105093256
1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 102441860
1-(2-chlorophenyl)-3-(4-methylphenyl)propan-1-ol
CID 105079773
1-(3-chloro-4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 107562206
3-(4-methylphenyl)-1-quinolin-7-ylpropan-1-ol
CID 105118985
1-(3-chloro-4-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803551
1-(3-chloro-4-methylphenyl)hexan-3-ol
CID 107561010
1-(4-chloro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 115818086

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)propan-1-ol?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)propan-1-ol (CID 107562190) is 1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)propan-1-ol is Cc1ccc(CCC(O)c2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)propan-1-ol?
The InChIKey is JIPLLQFMUNYCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO/c1-12-3-6-14(7-4-12)8-10-17(19)15-9-5-13(2)16(18)11-15/h3-7,9,11,17,19H,8,10H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)propan-1-ol?
1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)propan-1-ol has a molecular weight of 274.79 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 107562190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).