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

C14H11Br2FO2 — CID 61101513

IUPAC(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(F)cc2Br)cc1Br
InChIInChI=1S/C14H11Br2FO2/c1-19-13-5-2-8(6-12(13)16)14(18)10-4-3-9(17)7-11(10)15/h2-7,14,18H,1H3
InChIKeyJHNXCJXSPDQDGV-UHFFFAOYSA-N
MW390.05 g/mol
LogP4.44
Rot. Bonds3

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

(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol (PubChem CID 61101513) has the molecular formula C14H11Br2FO2 and a molecular weight of 390.05 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
PubChem CID61101513
Molecular FormulaC14H11Br2FO2
Molecular Weight390.05 g/mol
Exact Mass387.91
IUPAC Name(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc(F)cc2Br)cc1Br
InChIInChI=1S/C14H11Br2FO2/c1-19-13-5-2-8(6-12(13)16)14(18)10-4-3-9(17)7-11(10)15/h2-7,14,18H,1H3
InChIKeyJHNXCJXSPDQDGV-UHFFFAOYSA-N
XLogP4.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.05
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955289
(3-bromo-4-chlorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 82768889
(2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 115838561
(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
CID 115369701
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanol
CID 62660225
(3-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 62511360
N-[(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine
CID 43487803
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 105399539
(2-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol
CID 61082589
(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61100484
(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61100992
(2-bromo-4-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 134514503

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol?
The IUPAC name of (2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol (CID 61101513) is (2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol?
The canonical SMILES for (2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol is COc1ccc(C(O)c2ccc(F)cc2Br)cc1Br.
What is the InChIKey of (2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol?
The InChIKey is JHNXCJXSPDQDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2FO2/c1-19-13-5-2-8(6-12(13)16)14(18)10-4-3-9(17)7-11(10)15/h2-7,14,18H,1H3.
What are the key properties of (2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol?
(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol has a molecular weight of 390.05 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol is sourced from PubChem (CID 61101513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).