(5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol

C14H10BrF3O2 — CID 103396120

IUPAC(5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol
SMILESCOc1cc(F)c(Br)cc1C(O)c1c(F)cccc1F
InChIInChI=1S/C14H10BrF3O2/c1-20-12-6-11(18)8(15)5-7(12)14(19)13-9(16)3-2-4-10(13)17/h2-6,14,19H,1H3
InChIKeyUKSPMRWLWAMVQA-UHFFFAOYSA-N
MW347.13 g/mol
LogP3.96
Rot. Bonds3

About (5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol

(5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol (PubChem CID 103396120) has the molecular formula C14H10BrF3O2 and a molecular weight of 347.13 g/mol. Its IUPAC name is (5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol.

Molecular Properties

Compound Name(5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol
PubChem CID103396120
Molecular FormulaC14H10BrF3O2
Molecular Weight347.13 g/mol
Exact Mass345.98
IUPAC Name(5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol
SMILESCOc1cc(F)c(Br)cc1C(O)c1c(F)cccc1F
InChIInChI=1S/C14H10BrF3O2/c1-20-12-6-11(18)8(15)5-7(12)14(19)13-9(16)3-2-4-10(13)17/h2-6,14,19H,1H3
InChIKeyUKSPMRWLWAMVQA-UHFFFAOYSA-N
XLogP3.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.13
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-5-[bromo-(2,6-difluorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396481
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-3-methylphenyl)methanol
CID 107983417
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanol
CID 103396069
1-bromo-5-[(2-bromo-6-fluorophenyl)-chloromethyl]-2-fluoro-4-methoxybenzene
CID 103396331
(5-bromo-4-fluoro-2-methoxyphenyl)-thiophen-2-ylmethanol
CID 103396042
(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromo-2-fluorophenyl)methanol
CID 103395971
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-ethoxyphenyl)methanol
CID 103396097
(2,6-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61081893
(2,5-dimethoxyphenyl)-(2-fluoro-6-methoxyphenyl)methanol
CID 65433281
(5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)methanol
CID 65432204
(3-bromo-4-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanol
CID 79746374
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)ethanol
CID 103396109

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol?
The IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol (CID 103396120) is (5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol.
What is the SMILES notation for (5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol?
The canonical SMILES for (5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol is COc1cc(F)c(Br)cc1C(O)c1c(F)cccc1F.
What is the InChIKey of (5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol?
The InChIKey is UKSPMRWLWAMVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3O2/c1-20-12-6-11(18)8(15)5-7(12)14(19)13-9(16)3-2-4-10(13)17/h2-6,14,19H,1H3.
What are the key properties of (5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol?
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol has a molecular weight of 347.13 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol is sourced from PubChem (CID 103396120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).