(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol

C14H11BrClFO2 — CID 79697409

IUPAC(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
SMILESCOc1cc(C(O)c2ccc(F)c(Br)c2)ccc1Cl
InChIInChI=1S/C14H11BrClFO2/c1-19-13-7-9(2-4-11(13)16)14(18)8-3-5-12(17)10(15)6-8/h2-7,14,18H,1H3
InChIKeyJUKSADUXFLHBBQ-UHFFFAOYSA-N
MW345.60 g/mol
LogP4.33
Rot. Bonds3

About (3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol

(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol (PubChem CID 79697409) has the molecular formula C14H11BrClFO2 and a molecular weight of 345.60 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
PubChem CID79697409
Molecular FormulaC14H11BrClFO2
Molecular Weight345.60 g/mol
Exact Mass343.96
IUPAC Name(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
SMILESCOc1cc(C(O)c2ccc(F)c(Br)c2)ccc1Cl
InChIInChI=1S/C14H11BrClFO2/c1-19-13-7-9(2-4-11(13)16)14(18)8-3-5-12(17)10(15)6-8/h2-7,14,18H,1H3
InChIKeyJUKSADUXFLHBBQ-UHFFFAOYSA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.60
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)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

(4-bromo-3-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 81437123
(3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284804
(3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284055
(3-bromo-5-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 107947631
(3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol
CID 82879548
(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanol
CID 79747618
(3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol
CID 79746542
(3-bromo-4-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanol
CID 79746374
(3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 107955586
(4-chloro-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
CID 79697124
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 107955735
(4-chloro-3-methoxyphenyl)-[4-(difluoromethoxy)phenyl]methanol
CID 79699607

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol?
The IUPAC name of (3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol (CID 79697409) is (3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol is COc1cc(C(O)c2ccc(F)c(Br)c2)ccc1Cl.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol?
The InChIKey is JUKSADUXFLHBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO2/c1-19-13-7-9(2-4-11(13)16)14(18)8-3-5-12(17)10(15)6-8/h2-7,14,18H,1H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol?
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol has a molecular weight of 345.60 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol is sourced from PubChem (CID 79697409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).