(3-bromo-4-methoxyphenyl)-(2-chloro-6-fluorophenyl)methanol

C14H11BrClFO2 — CID 61100995

IUPAC(3-bromo-4-methoxyphenyl)-(2-chloro-6-fluorophenyl)methanol
SMILESCOc1ccc(C(O)c2c(F)cccc2Cl)cc1Br
InChIInChI=1S/C14H11BrClFO2/c1-19-12-6-5-8(7-9(12)15)14(18)13-10(16)3-2-4-11(13)17/h2-7,14,18H,1H3
InChIKeyITSFIRKYHQJDSF-UHFFFAOYSA-N
MW345.60 g/mol
LogP4.33
Rot. Bonds3

About (3-bromo-4-methoxyphenyl)-(2-chloro-6-fluorophenyl)methanol

(3-bromo-4-methoxyphenyl)-(2-chloro-6-fluorophenyl)methanol (PubChem CID 61100995) has the molecular formula C14H11BrClFO2 and a molecular weight of 345.60 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(2-chloro-6-fluorophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(2-chloro-6-fluorophenyl)methanol
PubChem CID61100995
Molecular FormulaC14H11BrClFO2
Molecular Weight345.60 g/mol
Exact Mass343.96
IUPAC Name(3-bromo-4-methoxyphenyl)-(2-chloro-6-fluorophenyl)methanol
SMILESCOc1ccc(C(O)c2c(F)cccc2Cl)cc1Br
InChIInChI=1S/C14H11BrClFO2/c1-19-12-6-5-8(7-9(12)15)14(18)13-10(16)3-2-4-11(13)17/h2-7,14,18H,1H3
InChIKeyITSFIRKYHQJDSF-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

(2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61082454
(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 61099841
(3-bromo-4-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanol
CID 79746374
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanol
CID 62660225
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 105399539
(3-bromo-4-chlorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 116809848
(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61100992
1-(3-bromo-4-methoxyphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 115983371
2-bromo-4-[bromo-(2-chloro-6-fluorophenyl)methyl]-1-ethoxybenzene
CID 104661713
(2-chloro-6-fluorophenyl)-(3-fluorophenyl)methanol
CID 63896004
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 79697409
(2-chloro-6-fluorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61099448

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(2-chloro-6-fluorophenyl)methanol?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(2-chloro-6-fluorophenyl)methanol (CID 61100995) is (3-bromo-4-methoxyphenyl)-(2-chloro-6-fluorophenyl)methanol.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(2-chloro-6-fluorophenyl)methanol?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(2-chloro-6-fluorophenyl)methanol is COc1ccc(C(O)c2c(F)cccc2Cl)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(2-chloro-6-fluorophenyl)methanol?
The InChIKey is ITSFIRKYHQJDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO2/c1-19-12-6-5-8(7-9(12)15)14(18)13-10(16)3-2-4-11(13)17/h2-7,14,18H,1H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(2-chloro-6-fluorophenyl)methanol?
(3-bromo-4-methoxyphenyl)-(2-chloro-6-fluorophenyl)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-methoxyphenyl)-(2-chloro-6-fluorophenyl)methanol is sourced from PubChem (CID 61100995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).