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

C14H11BrF2O2 — CID 79746374

IUPAC(3-bromo-4-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanol
SMILESCOc1cccc(F)c1C(O)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H11BrF2O2/c1-19-12-4-2-3-11(17)13(12)14(18)8-5-6-10(16)9(15)7-8/h2-7,14,18H,1H3
InChIKeyISBNZGZFEGYOJY-UHFFFAOYSA-N
MW329.14 g/mol
LogP3.82
Rot. Bonds3

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

(3-bromo-4-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanol (PubChem CID 79746374) has the molecular formula C14H11BrF2O2 and a molecular weight of 329.14 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanol
PubChem CID79746374
Molecular FormulaC14H11BrF2O2
Molecular Weight329.14 g/mol
Exact Mass327.99
IUPAC Name(3-bromo-4-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanol
SMILESCOc1cccc(F)c1C(O)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H11BrF2O2/c1-19-12-4-2-3-11(17)13(12)14(18)8-5-6-10(16)9(15)7-8/h2-7,14,18H,1H3
InChIKeyISBNZGZFEGYOJY-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

(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747390
(3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284804
(3-bromo-4-methoxyphenyl)-(2-chloro-6-fluorophenyl)methanol
CID 61100995
2,3-dihydro-1H-inden-5-yl-(2-fluoro-6-methoxyphenyl)methanol
CID 65434633
(3-bromo-4-fluorophenyl)-(3-methoxy-2-pyridinyl)methanol
CID 114053617
(3-bromo-4-chlorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 116809848
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 79697409
(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methanol
CID 114560429
(2,6-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 116809700
(3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 107955586
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 103396120
(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 61099841

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanol?
The IUPAC name of (3-bromo-4-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanol (CID 79746374) is (3-bromo-4-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanol.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanol?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanol is COc1cccc(F)c1C(O)c1ccc(F)c(Br)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanol?
The InChIKey is ISBNZGZFEGYOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O2/c1-19-12-4-2-3-11(17)13(12)14(18)8-5-6-10(16)9(15)7-8/h2-7,14,18H,1H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanol?
(3-bromo-4-fluorophenyl)-(2-fluoro-6-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)-(2-fluoro-6-methoxyphenyl)methanol is sourced from PubChem (CID 79746374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).