(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanol

C14H11BrF2O2 — CID 62660225

IUPAC(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanol
SMILESCOc1ccc(C(O)c2cccc(F)c2F)cc1Br
InChIInChI=1S/C14H11BrF2O2/c1-19-12-6-5-8(7-10(12)15)14(18)9-3-2-4-11(16)13(9)17/h2-7,14,18H,1H3
InChIKeyQFSGDXWHSYKNJK-UHFFFAOYSA-N
MW329.14 g/mol
LogP3.82
Rot. Bonds3

About (3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanol

(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanol (PubChem CID 62660225) has the molecular formula C14H11BrF2O2 and a molecular weight of 329.14 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanol
PubChem CID62660225
Molecular FormulaC14H11BrF2O2
Molecular Weight329.14 g/mol
Exact Mass327.99
IUPAC Name(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanol
SMILESCOc1ccc(C(O)c2cccc(F)c2F)cc1Br
InChIInChI=1S/C14H11BrF2O2/c1-19-12-6-5-8(7-10(12)15)14(18)9-3-2-4-11(16)13(9)17/h2-7,14,18H,1H3
InChIKeyQFSGDXWHSYKNJK-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

(2,3-difluorophenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115800901
(3-bromo-4-methoxyphenyl)-(2-chloro-6-fluorophenyl)methanol
CID 61100995
(3-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 62511360
(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61101513
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 105399539
(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806466
(4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methanol
CID 115800768
[3-bromo-4-(2-methoxyethoxy)phenyl]-(2-fluorophenyl)methanol
CID 104661372
(3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955289
(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
CID 115369701
(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61100992
(3-bromo-4-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanol
CID 79746374

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanol?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanol (CID 62660225) is (3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanol.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanol?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanol is COc1ccc(C(O)c2cccc(F)c2F)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanol?
The InChIKey is QFSGDXWHSYKNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O2/c1-19-12-6-5-8(7-10(12)15)14(18)9-3-2-4-11(16)13(9)17/h2-7,14,18H,1H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanol?
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)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-methoxyphenyl)-(2,3-difluorophenyl)methanol is sourced from PubChem (CID 62660225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).