1,3-bis(4-chlorophenyl)propan-2-ol

C15H14Cl2O — CID 19824078

IUPAC1,3-bis(4-chlorophenyl)propan-2-ol
SMILESOC(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2O/c16-13-5-1-11(2-6-13)9-15(18)10-12-3-7-14(17)8-4-12/h1-8,15,18H,9-10H2
InChIKeyAEERMXDFSRBOPC-UHFFFAOYSA-N
MW281.18 g/mol
LogP4.14
Rot. Bonds4

About 1,3-bis(4-chlorophenyl)propan-2-ol

1,3-bis(4-chlorophenyl)propan-2-ol (PubChem CID 19824078) has the molecular formula C15H14Cl2O and a molecular weight of 281.18 g/mol. Its IUPAC name is 1,3-bis(4-chlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1,3-bis(4-chlorophenyl)propan-2-ol
PubChem CID19824078
Molecular FormulaC15H14Cl2O
Molecular Weight281.18 g/mol
Exact Mass280.04
IUPAC Name1,3-bis(4-chlorophenyl)propan-2-ol
SMILESOC(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2O/c16-13-5-1-11(2-6-13)9-15(18)10-12-3-7-14(17)8-4-12/h1-8,15,18H,9-10H2
InChIKeyAEERMXDFSRBOPC-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60798023
1-(4-tert-butylphenyl)-3-(4-chlorophenyl)propan-2-ol
CID 63410107
1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375521
4-(4-chlorophenyl)-3-hydroxybutanamide
CID 70557750
(4-chlorophenyl)methyl-trihydroxyphosphanium
CID 57315316
1-(4-chlorophenyl)-3-pyridin-2-ylpropan-2-ol
CID 60797375
1-(4-chlorophenyl)-4-methylhexan-2-ol
CID 62607986
1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-ol
CID 55096280
1-(4-chlorophenyl)-4-methylidenehexan-2-ol
CID 66044338
1-(4-chlorophenyl)-3-cyclobutylpropan-2-ol
CID 65457870
(3R)-4-[4-(4-chlorophenyl)phenyl]-3-hydroxybutanenitrile
CID 125477803
(2S)-3-chloro-4-(4-chlorophenyl)butan-2-ol
CID 131029128

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-chlorophenyl)propan-2-ol?
The IUPAC name of 1,3-bis(4-chlorophenyl)propan-2-ol (CID 19824078) is 1,3-bis(4-chlorophenyl)propan-2-ol.
What is the SMILES notation for 1,3-bis(4-chlorophenyl)propan-2-ol?
The canonical SMILES for 1,3-bis(4-chlorophenyl)propan-2-ol is OC(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1.
What is the InChIKey of 1,3-bis(4-chlorophenyl)propan-2-ol?
The InChIKey is AEERMXDFSRBOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O/c16-13-5-1-11(2-6-13)9-15(18)10-12-3-7-14(17)8-4-12/h1-8,15,18H,9-10H2.
What are the key properties of 1,3-bis(4-chlorophenyl)propan-2-ol?
1,3-bis(4-chlorophenyl)propan-2-ol has a molecular weight of 281.18 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-chlorophenyl)propan-2-ol is sourced from PubChem (CID 19824078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).