(2-bromo-4-chlorophenyl)-(5-bromo-2-ethoxyphenyl)methanol

C15H13Br2ClO2 — CID 107991194

IUPAC(2-bromo-4-chlorophenyl)-(5-bromo-2-ethoxyphenyl)methanol
SMILESCCOc1ccc(Br)cc1C(O)c1ccc(Cl)cc1Br
InChIInChI=1S/C15H13Br2ClO2/c1-2-20-14-6-3-9(16)7-12(14)15(19)11-5-4-10(18)8-13(11)17/h3-8,15,19H,2H2,1H3
InChIKeyRQSJRPGUSQRQKR-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.35
Rot. Bonds4

About (2-bromo-4-chlorophenyl)-(5-bromo-2-ethoxyphenyl)methanol

(2-bromo-4-chlorophenyl)-(5-bromo-2-ethoxyphenyl)methanol (PubChem CID 107991194) has the molecular formula C15H13Br2ClO2 and a molecular weight of 420.53 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-(5-bromo-2-ethoxyphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-(5-bromo-2-ethoxyphenyl)methanol
PubChem CID107991194
Molecular FormulaC15H13Br2ClO2
Molecular Weight420.53 g/mol
Exact Mass417.90
IUPAC Name(2-bromo-4-chlorophenyl)-(5-bromo-2-ethoxyphenyl)methanol
SMILESCCOc1ccc(Br)cc1C(O)c1ccc(Cl)cc1Br
InChIInChI=1S/C15H13Br2ClO2/c1-2-20-14-6-3-9(16)7-12(14)15(19)11-5-4-10(18)8-13(11)17/h3-8,15,19H,2H2,1H3
InChIKeyRQSJRPGUSQRQKR-UHFFFAOYSA-N
XLogP5.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-chlorophenyl)-(2,5-dibromophenyl)methanol
CID 114024842
(2,4-dibromophenyl)-(2-ethoxyphenyl)methanol
CID 107947466
(5-bromo-2-ethoxyphenyl)-(5-bromo-2-methylphenyl)methanol
CID 65306945
(5-bromo-2-ethoxyphenyl)-(2,4-difluorophenyl)methanol
CID 61083035
(5-bromo-2-ethoxyphenyl)-(4-bromophenyl)methanol
CID 61081643
(5-bromo-2-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324876
1-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-4-chloro-2-fluorobenzene
CID 63434698
(5-bromo-2-ethoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 43311401
(4-bromo-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanol
CID 62302334
(5-bromo-2-ethoxyphenyl)-(2-iodophenyl)methanol
CID 61081064
(5-bromo-2-ethoxyphenyl)-(3-bromophenyl)methanol
CID 61082247
(2-bromo-4-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 107991354

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-(5-bromo-2-ethoxyphenyl)methanol?
The IUPAC name of (2-bromo-4-chlorophenyl)-(5-bromo-2-ethoxyphenyl)methanol (CID 107991194) is (2-bromo-4-chlorophenyl)-(5-bromo-2-ethoxyphenyl)methanol.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-(5-bromo-2-ethoxyphenyl)methanol?
The canonical SMILES for (2-bromo-4-chlorophenyl)-(5-bromo-2-ethoxyphenyl)methanol is CCOc1ccc(Br)cc1C(O)c1ccc(Cl)cc1Br.
What is the InChIKey of (2-bromo-4-chlorophenyl)-(5-bromo-2-ethoxyphenyl)methanol?
The InChIKey is RQSJRPGUSQRQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClO2/c1-2-20-14-6-3-9(16)7-12(14)15(19)11-5-4-10(18)8-13(11)17/h3-8,15,19H,2H2,1H3.
What are the key properties of (2-bromo-4-chlorophenyl)-(5-bromo-2-ethoxyphenyl)methanol?
(2-bromo-4-chlorophenyl)-(5-bromo-2-ethoxyphenyl)methanol has a molecular weight of 420.53 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)-(5-bromo-2-ethoxyphenyl)methanol is sourced from PubChem (CID 107991194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).