(3-bromo-4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanol

C14H11BrClFO2 — CID 103395113

IUPAC(3-bromo-4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(Cl)c(Br)c2)c(F)c1
InChIInChI=1S/C14H11BrClFO2/c1-19-9-3-4-10(13(17)7-9)14(18)8-2-5-12(16)11(15)6-8/h2-7,14,18H,1H3
InChIKeyQJTLMNYHNMDIHJ-UHFFFAOYSA-N
MW345.60 g/mol
LogP4.33
Rot. Bonds3

About (3-bromo-4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanol

(3-bromo-4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanol (PubChem CID 103395113) has the molecular formula C14H11BrClFO2 and a molecular weight of 345.60 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanol
PubChem CID103395113
Molecular FormulaC14H11BrClFO2
Molecular Weight345.60 g/mol
Exact Mass343.96
IUPAC Name(3-bromo-4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(Cl)c(Br)c2)c(F)c1
InChIInChI=1S/C14H11BrClFO2/c1-19-9-3-4-10(13(17)7-9)14(18)8-2-5-12(16)11(15)6-8/h2-7,14,18H,1H3
InChIKeyQJTLMNYHNMDIHJ-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

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Related Compounds

(3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 115566318
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-chlorophenyl)methanol
CID 107991356
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
(3-bromo-4-chlorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 82768889
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 105399539
(3,5-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 61083265
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 79697409
(3-bromo-4-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432694
(4-chloro-2,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 102884370
1-(3-bromo-4-chlorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 107998666
(2-fluoro-4-methoxyphenyl)-thiophen-3-ylmethanol
CID 61082292
[(4-bromo-3-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397729

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanol?
The IUPAC name of (3-bromo-4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanol (CID 103395113) is (3-bromo-4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanol.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanol?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanol is COc1ccc(C(O)c2ccc(Cl)c(Br)c2)c(F)c1.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanol?
The InChIKey is QJTLMNYHNMDIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO2/c1-19-9-3-4-10(13(17)7-9)14(18)8-2-5-12(16)11(15)6-8/h2-7,14,18H,1H3.
What are the key properties of (3-bromo-4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanol?
(3-bromo-4-chlorophenyl)-(2-fluoro-4-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-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanol is sourced from PubChem (CID 103395113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).