1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-ol

C16H16Cl2O2 — CID 106868107

IUPAC1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-ol
SMILESCc1ccc(CC(O)COc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C16H16Cl2O2/c1-11-2-3-12(16(18)8-11)9-14(19)10-20-15-6-4-13(17)5-7-15/h2-8,14,19H,9-10H2,1H3
InChIKeyVOVBWUFOLCVPRN-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.28
Rot. Bonds5

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

1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-ol (PubChem CID 106868107) has the molecular formula C16H16Cl2O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-ol
PubChem CID106868107
Molecular FormulaC16H16Cl2O2
Molecular Weight311.21 g/mol
Exact Mass310.05
IUPAC Name1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-ol
SMILESCc1ccc(CC(O)COc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C16H16Cl2O2/c1-11-2-3-12(16(18)8-11)9-14(19)10-20-15-6-4-13(17)5-7-15/h2-8,14,19H,9-10H2,1H3
InChIKeyVOVBWUFOLCVPRN-UHFFFAOYSA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 105126618
1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-amine
CID 106867316
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
1-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol
CID 105077329
1-(4-chlorophenoxy)-3-(3,5-dimethylphenyl)propan-2-ol
CID 105079601
1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-ol
CID 106867394
1-(4-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 105132914
1-(2-chloro-4-methylphenyl)-3-propoxypropan-2-ol
CID 106867286
1-(2-chloro-4-methylphenyl)-4-phenoxybutan-2-ol
CID 106867236
(2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 35672224
1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 102867534
1-(4-chlorophenoxy)-3-(2-methoxyphenyl)propan-2-ol
CID 105081523

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-ol?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-ol (CID 106868107) is 1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-ol?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-ol is Cc1ccc(CC(O)COc2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-ol?
The InChIKey is VOVBWUFOLCVPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O2/c1-11-2-3-12(16(18)8-11)9-14(19)10-20-15-6-4-13(17)5-7-15/h2-8,14,19H,9-10H2,1H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-ol?
1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-ol has a molecular weight of 311.21 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-ol is sourced from PubChem (CID 106868107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).