1-(2-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)propan-2-ol

C18H21ClO — CID 106867310

IUPAC1-(2-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)Cc2ccc(C)c(C)c2)c(Cl)c1
InChIInChI=1S/C18H21ClO/c1-12-4-7-16(18(19)8-12)11-17(20)10-15-6-5-13(2)14(3)9-15/h4-9,17,20H,10-11H2,1-3H3
InChIKeyGYXJIQUZLYDQSN-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.41
Rot. Bonds4

About 1-(2-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)propan-2-ol

1-(2-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)propan-2-ol (PubChem CID 106867310) has the molecular formula C18H21ClO and a molecular weight of 288.82 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)propan-2-ol
PubChem CID106867310
Molecular FormulaC18H21ClO
Molecular Weight288.82 g/mol
Exact Mass288.13
IUPAC Name1-(2-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)Cc2ccc(C)c(C)c2)c(Cl)c1
InChIInChI=1S/C18H21ClO/c1-12-4-7-16(18(19)8-12)11-17(20)10-15-6-5-13(2)14(3)9-15/h4-9,17,20H,10-11H2,1-3H3
InChIKeyGYXJIQUZLYDQSN-UHFFFAOYSA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol
CID 106867244
1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol
CID 106867250
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
1-(2,5-dichlorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 65321613
1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 62899782
1-(2-chloro-3-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 115983563
1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-ol
CID 106867273
1-(2-chloro-4-methylphenyl)-3-methylsulfonylpropan-2-ol
CID 106868016
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 106867406
1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-ol
CID 106867394
1-(2-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-ol
CID 66153728
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 106866233

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)propan-2-ol?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)propan-2-ol (CID 106867310) is 1-(2-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)propan-2-ol?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)propan-2-ol is Cc1ccc(CC(O)Cc2ccc(C)c(C)c2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)propan-2-ol?
The InChIKey is GYXJIQUZLYDQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO/c1-12-4-7-16(18(19)8-12)11-17(20)10-15-6-5-13(2)14(3)9-15/h4-9,17,20H,10-11H2,1-3H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)propan-2-ol?
1-(2-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)propan-2-ol has a molecular weight of 288.82 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 106867310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).