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

C16H15BrCl2O2 — CID 107310880

IUPAC2-(2-bromophenyl)-2-[(2,3-dichlorophenyl)methyl]propane-1,3-diol
SMILESOCC(CO)(Cc1cccc(Cl)c1Cl)c1ccccc1Br
InChIInChI=1S/C16H15BrCl2O2/c17-13-6-2-1-5-12(13)16(9-20,10-21)8-11-4-3-7-14(18)15(11)19/h1-7,20-21H,8-10H2
InChIKeyZAPIIZVFNQUCDP-UHFFFAOYSA-N
MW390.10 g/mol
LogP4.22
Rot. Bonds5

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

2-(2-bromophenyl)-2-[(2,3-dichlorophenyl)methyl]propane-1,3-diol (PubChem CID 107310880) has the molecular formula C16H15BrCl2O2 and a molecular weight of 390.10 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-[(2,3-dichlorophenyl)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-[(2,3-dichlorophenyl)methyl]propane-1,3-diol
PubChem CID107310880
Molecular FormulaC16H15BrCl2O2
Molecular Weight390.10 g/mol
Exact Mass387.96
IUPAC Name2-(2-bromophenyl)-2-[(2,3-dichlorophenyl)methyl]propane-1,3-diol
SMILESOCC(CO)(Cc1cccc(Cl)c1Cl)c1ccccc1Br
InChIInChI=1S/C16H15BrCl2O2/c17-13-6-2-1-5-12(13)16(9-20,10-21)8-11-4-3-7-14(18)15(11)19/h1-7,20-21H,8-10H2
InChIKeyZAPIIZVFNQUCDP-UHFFFAOYSA-N
XLogP4.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.10
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)-2-[(2,3-dichlorophenyl)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-[3-bromo-2-(bromomethyl)-2-(2-bromophenyl)propyl]-2,3-dichlorobenzene
CID 107310923
2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol
CID 79447250
1-[2-(2-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-3-chloro-2-fluorobenzene
CID 102864007
2-[(2,3-dichlorophenyl)methyl]-2-(3-fluorophenyl)propane-1,3-diol
CID 107310874
2-(2-bromophenyl)-2-[(4-fluorophenyl)methyl]propane-1,3-diol
CID 79448193
2-(2-bromophenyl)-1-(3-chloro-2-fluorophenyl)propan-2-ol
CID 102856814
1-[2-(bromomethyl)-2-phenylbutyl]-2,3-dichlorobenzene
CID 107310802
1-(2,3-dichlorophenyl)-2-(2-fluorophenyl)butan-2-ol
CID 107307633
2-(aminomethyl)-3-(2-chlorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507262
2-[(2,3-dichlorophenyl)methyl]-2-methylbut-3-en-1-ol
CID 107310753
2-(2-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-amine
CID 112653207
1-[1-bromo-2-(bromomethyl)-3-(2-chlorophenyl)propan-2-yl]-2-chlorobenzene
CID 79456158

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-[(2,3-dichlorophenyl)methyl]propane-1,3-diol?
The IUPAC name of 2-(2-bromophenyl)-2-[(2,3-dichlorophenyl)methyl]propane-1,3-diol (CID 107310880) is 2-(2-bromophenyl)-2-[(2,3-dichlorophenyl)methyl]propane-1,3-diol.
What is the SMILES notation for 2-(2-bromophenyl)-2-[(2,3-dichlorophenyl)methyl]propane-1,3-diol?
The canonical SMILES for 2-(2-bromophenyl)-2-[(2,3-dichlorophenyl)methyl]propane-1,3-diol is OCC(CO)(Cc1cccc(Cl)c1Cl)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-2-[(2,3-dichlorophenyl)methyl]propane-1,3-diol?
The InChIKey is ZAPIIZVFNQUCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2O2/c17-13-6-2-1-5-12(13)16(9-20,10-21)8-11-4-3-7-14(18)15(11)19/h1-7,20-21H,8-10H2.
What are the key properties of 2-(2-bromophenyl)-2-[(2,3-dichlorophenyl)methyl]propane-1,3-diol?
2-(2-bromophenyl)-2-[(2,3-dichlorophenyl)methyl]propane-1,3-diol has a molecular weight of 390.10 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-[(2,3-dichlorophenyl)methyl]propane-1,3-diol is sourced from PubChem (CID 107310880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).