(2-bromo-3-methylphenyl)-(4-chloro-2-fluorophenyl)methanol

C14H11BrClFO — CID 107985803

IUPAC(2-bromo-3-methylphenyl)-(4-chloro-2-fluorophenyl)methanol
SMILESCc1cccc(C(O)c2ccc(Cl)cc2F)c1Br
InChIInChI=1S/C14H11BrClFO/c1-8-3-2-4-11(13(8)15)14(18)10-6-5-9(16)7-12(10)17/h2-7,14,18H,1H3
InChIKeyKEVBMVHYTDDJMA-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.63
Rot. Bonds2

About (2-bromo-3-methylphenyl)-(4-chloro-2-fluorophenyl)methanol

(2-bromo-3-methylphenyl)-(4-chloro-2-fluorophenyl)methanol (PubChem CID 107985803) has the molecular formula C14H11BrClFO and a molecular weight of 329.60 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(4-chloro-2-fluorophenyl)methanol.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(4-chloro-2-fluorophenyl)methanol
PubChem CID107985803
Molecular FormulaC14H11BrClFO
Molecular Weight329.60 g/mol
Exact Mass327.97
IUPAC Name(2-bromo-3-methylphenyl)-(4-chloro-2-fluorophenyl)methanol
SMILESCc1cccc(C(O)c2ccc(Cl)cc2F)c1Br
InChIInChI=1S/C14H11BrClFO/c1-8-3-2-4-11(13(8)15)14(18)10-6-5-9(16)7-12(10)17/h2-7,14,18H,1H3
InChIKeyKEVBMVHYTDDJMA-UHFFFAOYSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.60
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2-bromo-3-methylphenyl)-(4-chloro-2-fluorophenyl)methanol 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

(2-bromo-3-methylphenyl)-(2,5-difluorophenyl)methanol
CID 107983315
(3-bromo-4-fluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 114023972
(2-bromo-3-methylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 107985811
(2-bromo-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114024273
(2-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanol
CID 107983313
(2-bromo-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114024297
(4-bromo-2-fluorophenyl)-(2-methylphenyl)methanol
CID 63894705
(3-bromo-2,6-difluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 107985905
(5-bromo-4-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol
CID 79992530
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-3-methylphenyl)methanol
CID 107983417
(2-bromo-3-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 114023965
(2-bromo-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 107985786

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(4-chloro-2-fluorophenyl)methanol?
The IUPAC name of (2-bromo-3-methylphenyl)-(4-chloro-2-fluorophenyl)methanol (CID 107985803) is (2-bromo-3-methylphenyl)-(4-chloro-2-fluorophenyl)methanol.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(4-chloro-2-fluorophenyl)methanol?
The canonical SMILES for (2-bromo-3-methylphenyl)-(4-chloro-2-fluorophenyl)methanol is Cc1cccc(C(O)c2ccc(Cl)cc2F)c1Br.
What is the InChIKey of (2-bromo-3-methylphenyl)-(4-chloro-2-fluorophenyl)methanol?
The InChIKey is KEVBMVHYTDDJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO/c1-8-3-2-4-11(13(8)15)14(18)10-6-5-9(16)7-12(10)17/h2-7,14,18H,1H3.
What are the key properties of (2-bromo-3-methylphenyl)-(4-chloro-2-fluorophenyl)methanol?
(2-bromo-3-methylphenyl)-(4-chloro-2-fluorophenyl)methanol has a molecular weight of 329.60 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylphenyl)-(4-chloro-2-fluorophenyl)methanol is sourced from PubChem (CID 107985803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).