2-[(4-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)propane-1,3-diol

C16H15BrClFO2 — CID 79444446

IUPAC2-[(4-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)propane-1,3-diol
SMILESOCC(CO)(Cc1ccc(Br)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C16H15BrClFO2/c17-13-4-1-11(15(19)7-13)8-16(9-20,10-21)12-2-5-14(18)6-3-12/h1-7,20-21H,8-10H2
InChIKeySOFWTMJFPAEXDI-UHFFFAOYSA-N
MW373.65 g/mol
LogP3.71
Rot. Bonds5

About 2-[(4-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)propane-1,3-diol

2-[(4-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)propane-1,3-diol (PubChem CID 79444446) has the molecular formula C16H15BrClFO2 and a molecular weight of 373.65 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)propane-1,3-diol
PubChem CID79444446
Molecular FormulaC16H15BrClFO2
Molecular Weight373.65 g/mol
Exact Mass371.99
IUPAC Name2-[(4-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)propane-1,3-diol
SMILESOCC(CO)(Cc1ccc(Br)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C16H15BrClFO2/c17-13-4-1-11(15(19)7-13)8-16(9-20,10-21)12-2-5-14(18)6-3-12/h1-7,20-21H,8-10H2
InChIKeySOFWTMJFPAEXDI-UHFFFAOYSA-N
XLogP3.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.65
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-2-[(2,5-difluorophenyl)methyl]propane-1,3-diol
CID 79444445
2-[(4-bromo-2-fluorophenyl)methyl]-2-(3-methylphenyl)propane-1,3-diol
CID 79444863
4-bromo-1-[3-chloro-2-(chloromethyl)-2-(4-fluorophenyl)propyl]-2-fluorobenzene
CID 79443766
2-(4-chlorophenyl)-2-[(4-fluoro-2-methylphenyl)methyl]propane-1,3-diol
CID 114349965
4-bromo-2-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]-1-fluorobenzene
CID 79446799
2-(4-chlorophenyl)-2-[(3,4-difluorophenyl)methyl]propane-1,3-diol
CID 82927101
2-[(3-bromo-4-fluorophenyl)methyl]-2-(4-bromophenyl)propane-1,3-diol
CID 79445490
2-[(2,5-difluorophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol
CID 79444671
2-bromo-1-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]-4-fluorobenzene
CID 79446810
1-(4-bromo-2-fluorophenyl)-2-(4-bromophenyl)propan-2-amine
CID 55187150
2-[(4-bromo-2-fluorophenyl)methyl]-2-cyclopentylpropane-1,3-diol
CID 112570993
CID 88874839
CID 88874839

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)propane-1,3-diol?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)propane-1,3-diol (CID 79444446) is 2-[(4-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)propane-1,3-diol.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)propane-1,3-diol?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)propane-1,3-diol is OCC(CO)(Cc1ccc(Br)cc1F)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)propane-1,3-diol?
The InChIKey is SOFWTMJFPAEXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClFO2/c17-13-4-1-11(15(19)7-13)8-16(9-20,10-21)12-2-5-14(18)6-3-12/h1-7,20-21H,8-10H2.
What are the key properties of 2-[(4-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)propane-1,3-diol?
2-[(4-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)propane-1,3-diol has a molecular weight of 373.65 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)methyl]-2-(4-chlorophenyl)propane-1,3-diol is sourced from PubChem (CID 79444446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).