(2-bromo-4-chlorophenyl)-(2,5-dibromophenyl)methanol

C13H8Br3ClO — CID 114024842

IUPAC(2-bromo-4-chlorophenyl)-(2,5-dibromophenyl)methanol
SMILESOC(c1ccc(Cl)cc1Br)c1cc(Br)ccc1Br
InChIInChI=1S/C13H8Br3ClO/c14-7-1-4-11(15)10(5-7)13(18)9-3-2-8(17)6-12(9)16/h1-6,13,18H
InChIKeyXGKWSUOXDNVXJX-UHFFFAOYSA-N
MW455.37 g/mol
LogP5.71
Rot. Bonds2

About (2-bromo-4-chlorophenyl)-(2,5-dibromophenyl)methanol

(2-bromo-4-chlorophenyl)-(2,5-dibromophenyl)methanol (PubChem CID 114024842) has the molecular formula C13H8Br3ClO and a molecular weight of 455.37 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-(2,5-dibromophenyl)methanol.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-(2,5-dibromophenyl)methanol
PubChem CID114024842
Molecular FormulaC13H8Br3ClO
Molecular Weight455.37 g/mol
Exact Mass451.78
IUPAC Name(2-bromo-4-chlorophenyl)-(2,5-dibromophenyl)methanol
SMILESOC(c1ccc(Cl)cc1Br)c1cc(Br)ccc1Br
InChIInChI=1S/C13H8Br3ClO/c14-7-1-4-11(15)10(5-7)13(18)9-3-2-8(17)6-12(9)16/h1-6,13,18H
InChIKeyXGKWSUOXDNVXJX-UHFFFAOYSA-N
XLogP5.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.37
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-4-chlorophenyl)-(5-bromo-2-ethoxyphenyl)methanol
CID 107991194
(2-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 107991315
(2-bromo-4-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanol
CID 107991378
(3-bromo-5-chloro-2-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955298
(2-bromo-4-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 107991354
(2,5-dibromophenyl)-(2,6-dichlorophenyl)methanol
CID 63425825
(4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol
CID 115369715
(5-bromo-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanol
CID 115820779
(2,5-dibromophenyl)-(3,4-dichlorophenyl)methanol
CID 63426086
(2-bromo-4-chlorophenyl)-(2,4-difluoro-5-methylphenyl)methanol
CID 107991288
(3-chloro-5-methylphenyl)-(2,5-dibromophenyl)methanol
CID 81324953
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol
CID 106972099

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-(2,5-dibromophenyl)methanol?
The IUPAC name of (2-bromo-4-chlorophenyl)-(2,5-dibromophenyl)methanol (CID 114024842) is (2-bromo-4-chlorophenyl)-(2,5-dibromophenyl)methanol.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-(2,5-dibromophenyl)methanol?
The canonical SMILES for (2-bromo-4-chlorophenyl)-(2,5-dibromophenyl)methanol is OC(c1ccc(Cl)cc1Br)c1cc(Br)ccc1Br.
What is the InChIKey of (2-bromo-4-chlorophenyl)-(2,5-dibromophenyl)methanol?
The InChIKey is XGKWSUOXDNVXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br3ClO/c14-7-1-4-11(15)10(5-7)13(18)9-3-2-8(17)6-12(9)16/h1-6,13,18H.
What are the key properties of (2-bromo-4-chlorophenyl)-(2,5-dibromophenyl)methanol?
(2-bromo-4-chlorophenyl)-(2,5-dibromophenyl)methanol has a molecular weight of 455.37 g/mol, XLogP of 5.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)-(2,5-dibromophenyl)methanol is sourced from PubChem (CID 114024842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).