(3-bromo-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol

C14H11Br2FO2 — CID 106648491

IUPAC(3-bromo-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol
SMILESCOc1ccc(Br)c(C(O)c2cccc(Br)c2F)c1
InChIInChI=1S/C14H11Br2FO2/c1-19-8-5-6-11(15)10(7-8)14(18)9-3-2-4-12(16)13(9)17/h2-7,14,18H,1H3
InChIKeyXGHPVDQSWBAWNL-UHFFFAOYSA-N
MW390.05 g/mol
LogP4.44
Rot. Bonds3

About (3-bromo-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol

(3-bromo-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol (PubChem CID 106648491) has the molecular formula C14H11Br2FO2 and a molecular weight of 390.05 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol
PubChem CID106648491
Molecular FormulaC14H11Br2FO2
Molecular Weight390.05 g/mol
Exact Mass387.91
IUPAC Name(3-bromo-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol
SMILESCOc1ccc(Br)c(C(O)c2cccc(Br)c2F)c1
InChIInChI=1S/C14H11Br2FO2/c1-19-8-5-6-11(15)10(7-8)14(18)9-3-2-4-12(16)13(9)17/h2-7,14,18H,1H3
InChIKeyXGHPVDQSWBAWNL-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

(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol
CID 106765154
(3-bromo-2-fluorophenyl)-(4-fluoro-2-methoxyphenyl)methanol
CID 86730397
(2-bromo-5-methoxyphenyl)-(2,6-dimethoxyphenyl)methanol
CID 105131581
(R)-(2-bromo-5-methoxyphenyl)-phenylmethanol
CID 124575991
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
(3-bromo-2,6-difluorophenyl)-(2,5-dimethoxyphenyl)methanol
CID 106941240
(2-bromo-5-methoxyphenyl)-isoquinolin-8-ylmethanol
CID 103139035
3-bromo-1-(2-bromo-5-methoxyphenyl)propane-1,2-diol
CID 171861209
(3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol
CID 107955792
(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol
CID 106644628
(3-bromo-2-fluorophenyl)-(2-bromo-4-methylphenyl)methanol
CID 106644538
(2-bromo-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81479752

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol?
The IUPAC name of (3-bromo-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol (CID 106648491) is (3-bromo-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol is COc1ccc(Br)c(C(O)c2cccc(Br)c2F)c1.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol?
The InChIKey is XGHPVDQSWBAWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2FO2/c1-19-8-5-6-11(15)10(7-8)14(18)9-3-2-4-12(16)13(9)17/h2-7,14,18H,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol?
(3-bromo-2-fluorophenyl)-(2-bromo-5-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 (3-bromo-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol is sourced from PubChem (CID 106648491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).