(4-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol

C15H13BrF2O3 — CID 62867464

IUPAC(4-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
SMILESCOc1cc(F)c(C(O)c2ccc(Br)cc2F)cc1OC
InChIInChI=1S/C15H13BrF2O3/c1-20-13-6-10(12(18)7-14(13)21-2)15(19)9-4-3-8(16)5-11(9)17/h3-7,15,19H,1-2H3
InChIKeyJJWXQSDAGHPRBX-UHFFFAOYSA-N
MW359.17 g/mol
LogP3.83
Rot. Bonds4

About (4-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol

(4-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol (PubChem CID 62867464) has the molecular formula C15H13BrF2O3 and a molecular weight of 359.17 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
PubChem CID62867464
Molecular FormulaC15H13BrF2O3
Molecular Weight359.17 g/mol
Exact Mass358.00
IUPAC Name(4-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
SMILESCOc1cc(F)c(C(O)c2ccc(Br)cc2F)cc1OC
InChIInChI=1S/C15H13BrF2O3/c1-20-13-6-10(12(18)7-14(13)21-2)15(19)9-4-3-8(16)5-11(9)17/h3-7,15,19H,1-2H3
InChIKeyJJWXQSDAGHPRBX-UHFFFAOYSA-N
XLogP3.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303339
(4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 61082273
(5-bromo-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 61082293
(2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 62867633
(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromo-2-fluorophenyl)methanol
CID 103395971
(4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methanol
CID 115800768
(4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
CID 43330541
(5-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82805632
(4-bromo-2-fluorophenyl)-(2-methylphenyl)methanol
CID 63894705
(2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 114369086
(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanol
CID 61086660
(4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol
CID 115369715

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol?
The IUPAC name of (4-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol (CID 62867464) is (4-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol is COc1cc(F)c(C(O)c2ccc(Br)cc2F)cc1OC.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol?
The InChIKey is JJWXQSDAGHPRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O3/c1-20-13-6-10(12(18)7-14(13)21-2)15(19)9-4-3-8(16)5-11(9)17/h3-7,15,19H,1-2H3.
What are the key properties of (4-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol?
(4-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol has a molecular weight of 359.17 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol is sourced from PubChem (CID 62867464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).