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

C14H11BrF2O2 — CID 86730397

IUPAC(3-bromo-2-fluorophenyl)-(4-fluoro-2-methoxyphenyl)methanol
SMILESCOc1cc(F)ccc1C(O)c1cccc(Br)c1F
InChIInChI=1S/C14H11BrF2O2/c1-19-12-7-8(16)5-6-9(12)14(18)10-3-2-4-11(15)13(10)17/h2-7,14,18H,1H3
InChIKeyNNPSRONDAOABEO-UHFFFAOYSA-N
MW329.14 g/mol
LogP3.82
Rot. Bonds3

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

(3-bromo-2-fluorophenyl)-(4-fluoro-2-methoxyphenyl)methanol (PubChem CID 86730397) has the molecular formula C14H11BrF2O2 and a molecular weight of 329.14 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(4-fluoro-2-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(4-fluoro-2-methoxyphenyl)methanol
PubChem CID86730397
Molecular FormulaC14H11BrF2O2
Molecular Weight329.14 g/mol
Exact Mass327.99
IUPAC Name(3-bromo-2-fluorophenyl)-(4-fluoro-2-methoxyphenyl)methanol
SMILESCOc1cc(F)ccc1C(O)c1cccc(Br)c1F
InChIInChI=1S/C14H11BrF2O2/c1-19-12-7-8(16)5-6-9(12)14(18)10-3-2-4-11(15)13(10)17/h2-7,14,18H,1H3
InChIKeyNNPSRONDAOABEO-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-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol
CID 106648491
(4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methanol
CID 115800768
(3-bromo-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 107950245
(2-chloro-4-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807676
(2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 115838561
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
(3-bromo-2-fluorophenyl)-(2-bromo-4-methylphenyl)methanol
CID 106644538
(4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794081
(2-bromo-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81479752
(2,5-difluorophenyl)-(2-methoxyphenyl)methanol
CID 61100106
(2-bromo-5-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 81111399
(5-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82805632

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(4-fluoro-2-methoxyphenyl)methanol?
The IUPAC name of (3-bromo-2-fluorophenyl)-(4-fluoro-2-methoxyphenyl)methanol (CID 86730397) is (3-bromo-2-fluorophenyl)-(4-fluoro-2-methoxyphenyl)methanol.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(4-fluoro-2-methoxyphenyl)methanol?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(4-fluoro-2-methoxyphenyl)methanol is COc1cc(F)ccc1C(O)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(4-fluoro-2-methoxyphenyl)methanol?
The InChIKey is NNPSRONDAOABEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O2/c1-19-12-7-8(16)5-6-9(12)14(18)10-3-2-4-11(15)13(10)17/h2-7,14,18H,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(4-fluoro-2-methoxyphenyl)methanol?
(3-bromo-2-fluorophenyl)-(4-fluoro-2-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-2-fluorophenyl)-(4-fluoro-2-methoxyphenyl)methanol is sourced from PubChem (CID 86730397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).