1-(2-chloro-4-methylphenyl)-2-(3,5-dimethylphenyl)propan-2-ol

C18H21ClO — CID 106866548

IUPAC1-(2-chloro-4-methylphenyl)-2-(3,5-dimethylphenyl)propan-2-ol
SMILESCc1cc(C)cc(C(C)(O)Cc2ccc(C)cc2Cl)c1
InChIInChI=1S/C18H21ClO/c1-12-5-6-15(17(19)10-12)11-18(4,20)16-8-13(2)7-14(3)9-16/h5-10,20H,11H2,1-4H3
InChIKeyKIYRBZKRPZGEDN-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.72
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)-2-(3,5-dimethylphenyl)propan-2-ol

1-(2-chloro-4-methylphenyl)-2-(3,5-dimethylphenyl)propan-2-ol (PubChem CID 106866548) has the molecular formula C18H21ClO and a molecular weight of 288.82 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-2-(3,5-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-2-(3,5-dimethylphenyl)propan-2-ol
PubChem CID106866548
Molecular FormulaC18H21ClO
Molecular Weight288.82 g/mol
Exact Mass288.13
IUPAC Name1-(2-chloro-4-methylphenyl)-2-(3,5-dimethylphenyl)propan-2-ol
SMILESCc1cc(C)cc(C(C)(O)Cc2ccc(C)cc2Cl)c1
InChIInChI=1S/C18H21ClO/c1-12-5-6-15(17(19)10-12)11-18(4,20)16-8-13(2)7-14(3)9-16/h5-10,20H,11H2,1-4H3
InChIKeyKIYRBZKRPZGEDN-UHFFFAOYSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-2-(4-ethylphenyl)propan-2-ol
CID 106866102
2-(2-bromophenyl)-1-(2-chloro-4-methylphenyl)propan-2-ol
CID 106866065
1-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol
CID 65146932
3-(2-chloro-4-methylphenyl)-1,1-dimethoxy-2-methylpropan-2-ol
CID 106866435
1-[(2-chloro-4-methylphenyl)methylamino]-2-methylbutan-2-ol
CID 106862763
1-[(2-chloro-4-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 106862762
1-[2-(hydroxymethyl)-5-methylphenyl]-2-phenylpropan-2-ol
CID 141407493
2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 106869525
1-(2-chloro-4-methylphenyl)-2-piperidin-3-ylpropan-2-ol
CID 106866125
3-(2-chloro-4-methylphenyl)-2-cyclopropyl-2-methylpropanoic acid
CID 106865472
1-(2-chloro-4-methylphenyl)-3-methylpentane-2,3-diol
CID 106867632
1-[2-(bromomethyl)-2-methylpentyl]-2-chloro-4-methylbenzene
CID 106870681

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(3,5-dimethylphenyl)propan-2-ol?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(3,5-dimethylphenyl)propan-2-ol (CID 106866548) is 1-(2-chloro-4-methylphenyl)-2-(3,5-dimethylphenyl)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-2-(3,5-dimethylphenyl)propan-2-ol?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-2-(3,5-dimethylphenyl)propan-2-ol is Cc1cc(C)cc(C(C)(O)Cc2ccc(C)cc2Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-2-(3,5-dimethylphenyl)propan-2-ol?
The InChIKey is KIYRBZKRPZGEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO/c1-12-5-6-15(17(19)10-12)11-18(4,20)16-8-13(2)7-14(3)9-16/h5-10,20H,11H2,1-4H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-2-(3,5-dimethylphenyl)propan-2-ol?
1-(2-chloro-4-methylphenyl)-2-(3,5-dimethylphenyl)propan-2-ol has a molecular weight of 288.82 g/mol, XLogP of 4.72, 3 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)-2-(3,5-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 106866548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).