2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol

C16H16Cl2O2 — CID 79447250

IUPAC2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol
SMILESOCC(CO)(Cc1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C16H16Cl2O2/c17-14-7-3-1-5-12(14)9-16(10-19,11-20)13-6-2-4-8-15(13)18/h1-8,19-20H,9-11H2
InChIKeyJVIDEQDCOPKEGM-UHFFFAOYSA-N
MW311.21 g/mol
LogP3.46
Rot. Bonds5

About 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol

2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol (PubChem CID 79447250) has the molecular formula C16H16Cl2O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol
PubChem CID79447250
Molecular FormulaC16H16Cl2O2
Molecular Weight311.21 g/mol
Exact Mass310.05
IUPAC Name2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol
SMILESOCC(CO)(Cc1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C16H16Cl2O2/c17-14-7-3-1-5-12(14)9-16(10-19,11-20)13-6-2-4-8-15(13)18/h1-8,19-20H,9-11H2
InChIKeyJVIDEQDCOPKEGM-UHFFFAOYSA-N
XLogP3.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-bromo-2-(bromomethyl)-3-(2-chlorophenyl)propan-2-yl]-2-chlorobenzene
CID 79456158
2-(aminomethyl)-3-(2-chlorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507262
2-(2-chlorophenyl)-2-[(5-fluoro-2-methylphenyl)methyl]propane-1,3-diol
CID 105376102
2-(2-bromophenyl)-2-[(2,3-dichlorophenyl)methyl]propane-1,3-diol
CID 107310880
2-[(3-chloro-4-pyridinyl)methyl]-2-(2-methylphenyl)propane-1,3-diol
CID 79450406
2-(2-chlorophenyl)-2-(trimethylsilylmethyl)propane-1,3-diol
CID 106324290
2-[(2-chloro-5-fluorophenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
CID 102621542
2-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)propane-1,3-diol
CID 104813454
2-[(2-chlorophenyl)methyl]-2-methylbutan-1-ol
CID 66060666
1-chloro-2-[1-chloro-2-(chloromethyl)-3-(2-methylphenyl)propan-2-yl]benzene
CID 79453918
1-chloro-2-[1-chloro-2-(chloromethyl)-3-(2-fluorophenyl)propan-2-yl]benzene
CID 79453067
1,1-bis(2-chlorophenyl)ethane-1,2-diol
CID 71341574

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol?
The IUPAC name of 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol (CID 79447250) is 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol.
What is the SMILES notation for 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol?
The canonical SMILES for 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol is OCC(CO)(Cc1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol?
The InChIKey is JVIDEQDCOPKEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O2/c17-14-7-3-1-5-12(14)9-16(10-19,11-20)13-6-2-4-8-15(13)18/h1-8,19-20H,9-11H2.
What are the key properties of 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol?
2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol has a molecular weight of 311.21 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol is sourced from PubChem (CID 79447250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).