(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol

C14H11Br2ClO2 — CID 61100484

IUPAC(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(Br)ccc2Cl)cc1Br
InChIInChI=1S/C14H11Br2ClO2/c1-19-13-5-2-8(6-11(13)16)14(18)10-7-9(15)3-4-12(10)17/h2-7,14,18H,1H3
InChIKeyJFICJJUNKWBWPQ-UHFFFAOYSA-N
MW406.50 g/mol
LogP4.96
Rot. Bonds3

About (5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol

(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol (PubChem CID 61100484) has the molecular formula C14H11Br2ClO2 and a molecular weight of 406.50 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol
PubChem CID61100484
Molecular FormulaC14H11Br2ClO2
Molecular Weight406.50 g/mol
Exact Mass403.88
IUPAC Name(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(Br)ccc2Cl)cc1Br
InChIInChI=1S/C14H11Br2ClO2/c1-19-13-5-2-8(6-11(13)16)14(18)10-7-9(15)3-4-12(10)17/h2-7,14,18H,1H3
InChIKeyJFICJJUNKWBWPQ-UHFFFAOYSA-N
XLogP4.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61082254
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CID 107955289
(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
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(5-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 105057050
(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61100992
(3-bromo-4-chlorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
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(5-bromo-2-methoxyphenyl)-(3-chloro-4-iodophenyl)methanol
CID 103210037
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 105399539
N-[(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine
CID 43487727
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
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(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol
CID 61100202

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol?
The IUPAC name of (5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol (CID 61100484) is (5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol is COc1ccc(C(O)c2cc(Br)ccc2Cl)cc1Br.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol?
The InChIKey is JFICJJUNKWBWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClO2/c1-19-13-5-2-8(6-11(13)16)14(18)10-7-9(15)3-4-12(10)17/h2-7,14,18H,1H3.
What are the key properties of (5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol?
(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol has a molecular weight of 406.50 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol is sourced from PubChem (CID 61100484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).