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

C16H15Cl3O — CID 106867255

IUPAC1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
SMILESCc1ccc(CC(O)Cc2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl3O/c1-10-2-3-11(15(18)6-10)7-14(20)8-12-4-5-13(17)9-16(12)19/h2-6,9,14,20H,7-8H2,1H3
InChIKeyBDIBUUGRPFLNMV-UHFFFAOYSA-N
MW329.65 g/mol
LogP5.10
Rot. Bonds4

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

1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol (PubChem CID 106867255) has the molecular formula C16H15Cl3O and a molecular weight of 329.65 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
PubChem CID106867255
Molecular FormulaC16H15Cl3O
Molecular Weight329.65 g/mol
Exact Mass328.02
IUPAC Name1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
SMILESCc1ccc(CC(O)Cc2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl3O/c1-10-2-3-11(15(18)6-10)7-14(20)8-12-4-5-13(17)9-16(12)19/h2-6,9,14,20H,7-8H2,1H3
InChIKeyBDIBUUGRPFLNMV-UHFFFAOYSA-N
XLogP5.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.65
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
1-(2,4-dichlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62162037
1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol
CID 106867244
1-(2,4-dichlorophenyl)butan-2-ol;methanol
CID 144705825
1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 106868107
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 106868133
1-(2-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 106867310
1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol
CID 106867250
1-(2,4-dichlorophenyl)pentan-2-ol
CID 60798287
1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-ol
CID 106867273
(2R)-3-(2-chloro-4-methylphenyl)-1,1,1-trifluoropropan-2-ol
CID 106867561
1-(2-chloro-4-methylphenyl)-3-methylsulfonylpropan-2-ol
CID 106868016

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol (CID 106867255) is 1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol is Cc1ccc(CC(O)Cc2ccc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol?
The InChIKey is BDIBUUGRPFLNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3O/c1-10-2-3-11(15(18)6-10)7-14(20)8-12-4-5-13(17)9-16(12)19/h2-6,9,14,20H,7-8H2,1H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol?
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol has a molecular weight of 329.65 g/mol, XLogP of 5.10, 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-(2,4-dichlorophenyl)propan-2-ol is sourced from PubChem (CID 106867255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).