(2-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanol

C14H10Br3ClO — CID 107991315

IUPAC(2-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanol
SMILESCc1cc(Br)c(C(O)c2ccc(Cl)cc2Br)cc1Br
InChIInChI=1S/C14H10Br3ClO/c1-7-4-12(16)10(6-11(7)15)14(19)9-3-2-8(18)5-13(9)17/h2-6,14,19H,1H3
InChIKeyKYJPOAONVAKGOI-UHFFFAOYSA-N
MW469.40 g/mol
LogP6.02
Rot. Bonds2

About (2-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanol

(2-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanol (PubChem CID 107991315) has the molecular formula C14H10Br3ClO and a molecular weight of 469.40 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanol
PubChem CID107991315
Molecular FormulaC14H10Br3ClO
Molecular Weight469.40 g/mol
Exact Mass465.80
IUPAC Name(2-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanol
SMILESCc1cc(Br)c(C(O)c2ccc(Cl)cc2Br)cc1Br
InChIInChI=1S/C14H10Br3ClO/c1-7-4-12(16)10(6-11(7)15)14(19)9-3-2-8(18)5-13(9)17/h2-6,14,19H,1H3
InChIKeyKYJPOAONVAKGOI-UHFFFAOYSA-N
XLogP6.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.40
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-dibromo-4-methylphenyl)-(2,5-dichlorophenyl)methanol
CID 81472697
(2-bromo-4-chlorophenyl)-(2,4-difluoro-5-methylphenyl)methanol
CID 107991288
(2-bromo-4-chlorophenyl)-(2,5-dibromophenyl)methanol
CID 114024842
(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 107098922
1,4-dibromo-2-[bromo-(2,4-dichlorophenyl)methyl]-5-methylbenzene
CID 81474218
(2-bromo-4,5-dimethylphenyl)-(4-chlorophenyl)methanol
CID 139494105
(2,5-dibromo-4-methylphenyl)-(4-methylthiophen-3-yl)methanol
CID 81474094
(3-chloro-4-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 81473543
(2-bromo-4-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanol
CID 107991378
(2,5-dibromo-4-methylphenyl)-(2,3-difluorophenyl)methanol
CID 81473865
(1R)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol
CID 131128779
(1R,2S)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol
CID 130613122

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanol?
The IUPAC name of (2-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanol (CID 107991315) is (2-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanol.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanol?
The canonical SMILES for (2-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanol is Cc1cc(Br)c(C(O)c2ccc(Cl)cc2Br)cc1Br.
What is the InChIKey of (2-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanol?
The InChIKey is KYJPOAONVAKGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br3ClO/c1-7-4-12(16)10(6-11(7)15)14(19)9-3-2-8(18)5-13(9)17/h2-6,14,19H,1H3.
What are the key properties of (2-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanol?
(2-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanol has a molecular weight of 469.40 g/mol, XLogP of 6.02, 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-dibromo-4-methylphenyl)methanol is sourced from PubChem (CID 107991315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).