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

C14H11BrF2O2 — CID 81284804

IUPAC(3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cc(C(O)c2ccc(F)c(Br)c2)ccc1F
InChIInChI=1S/C14H11BrF2O2/c1-19-13-7-9(3-5-12(13)17)14(18)8-2-4-11(16)10(15)6-8/h2-7,14,18H,1H3
InChIKeyQBLJFOCXSFVOKT-UHFFFAOYSA-N
MW329.14 g/mol
LogP3.82
Rot. Bonds3

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

(3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol (PubChem CID 81284804) has the molecular formula C14H11BrF2O2 and a molecular weight of 329.14 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
PubChem CID81284804
Molecular FormulaC14H11BrF2O2
Molecular Weight329.14 g/mol
Exact Mass327.99
IUPAC Name(3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cc(C(O)c2ccc(F)c(Br)c2)ccc1F
InChIInChI=1S/C14H11BrF2O2/c1-19-13-7-9(3-5-12(13)17)14(18)8-2-4-11(16)10(15)6-8/h2-7,14,18H,1H3
InChIKeyQBLJFOCXSFVOKT-UHFFFAOYSA-N
XLogP3.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 79697409
(4-fluoro-3-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 81285020
(3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol
CID 79746542
(3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 107955586
(3-bromo-4-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanol
CID 79746374
(2-bromo-4-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 134514503
(3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284055
(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methanol
CID 114977925
(3-bromo-4-fluorophenyl)-(3-methoxy-2-pyridinyl)methanol
CID 114053617
(4-fluoro-3-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 81289069
(4-bromo-3-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 81437123
(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115836236

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol?
The IUPAC name of (3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol (CID 81284804) is (3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol is COc1cc(C(O)c2ccc(F)c(Br)c2)ccc1F.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol?
The InChIKey is QBLJFOCXSFVOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O2/c1-19-13-7-9(3-5-12(13)17)14(18)8-2-4-11(16)10(15)6-8/h2-7,14,18H,1H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol?
(3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol has a molecular weight of 329.14 g/mol, XLogP of 3.82, 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-fluoro-3-methoxyphenyl)methanol is sourced from PubChem (CID 81284804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).