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

C14H11BrF2O2 — CID 115800768

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

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

(4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methanol (PubChem CID 115800768) has the molecular formula C14H11BrF2O2 and a molecular weight of 329.14 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methanol
PubChem CID115800768
Molecular FormulaC14H11BrF2O2
Molecular Weight329.14 g/mol
Exact Mass327.99
IUPAC Name(4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methanol
SMILESCOc1cc(Br)ccc1C(O)c1cccc(F)c1F
InChIInChI=1S/C14H11BrF2O2/c1-19-12-7-8(15)5-6-9(12)14(18)10-3-2-4-11(16)13(10)17/h2-7,14,18H,1H3
InChIKeyWJRUFRGWVKNTKD-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

(4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303339
(5-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82805632
(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791553
N-[(4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 115861975
(3-bromo-2-fluorophenyl)-(4-fluoro-2-methoxyphenyl)methanol
CID 86730397
(4-bromo-2-methoxyphenyl)-naphthalen-1-ylmethanol
CID 115369767
(4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol
CID 115369715
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanol
CID 62660225
(2-amino-5-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807801
(4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794081
2-(2-bromo-3-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanol
CID 115826418
(4-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 62867464

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methanol?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methanol (CID 115800768) is (4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methanol.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methanol?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methanol is COc1cc(Br)ccc1C(O)c1cccc(F)c1F.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methanol?
The InChIKey is WJRUFRGWVKNTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O2/c1-19-12-7-8(15)5-6-9(12)14(18)10-3-2-4-11(16)13(10)17/h2-7,14,18H,1H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methanol?
(4-bromo-2-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 (4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methanol is sourced from PubChem (CID 115800768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).