(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol

C15H13Br2ClO — CID 107098922

IUPAC(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol
SMILESCc1cc(Br)c(C(O)c2cccc(Cl)c2C)cc1Br
InChIInChI=1S/C15H13Br2ClO/c1-8-6-13(17)11(7-12(8)16)15(19)10-4-3-5-14(18)9(10)2/h3-7,15,19H,1-2H3
InChIKeyJZVQRVLOBNDIIA-UHFFFAOYSA-N
MW404.53 g/mol
LogP5.56
Rot. Bonds2

About (3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol

(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol (PubChem CID 107098922) has the molecular formula C15H13Br2ClO and a molecular weight of 404.53 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol
PubChem CID107098922
Molecular FormulaC15H13Br2ClO
Molecular Weight404.53 g/mol
Exact Mass401.90
IUPAC Name(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol
SMILESCc1cc(Br)c(C(O)c2cccc(Cl)c2C)cc1Br
InChIInChI=1S/C15H13Br2ClO/c1-8-6-13(17)11(7-12(8)16)15(19)10-4-3-5-14(18)9(10)2/h3-7,15,19H,1-2H3
InChIKeyJZVQRVLOBNDIIA-UHFFFAOYSA-N
XLogP5.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.53
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanamine
CID 107096610
(2,5-dibromo-4-methylphenyl)-(2,5-dichlorophenyl)methanol
CID 81472697
(2-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 107991315
(2,5-dibromo-4-methylphenyl)-(2,3-difluorophenyl)methanol
CID 81473865
(5-bromo-2-methylthiophen-3-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098892
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-2-methylphenyl)methanol
CID 107098959
(R)-(3-bromophenyl)-(3-chloro-2-methylphenyl)methanol
CID 97293535
(3-chloro-4-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 81473543
(4-bromo-5-chlorothiophen-2-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098965
(3-chloro-2-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 107098838
(3-chloro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 107103538
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098916

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol?
The IUPAC name of (3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol (CID 107098922) is (3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol.
What is the SMILES notation for (3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol?
The canonical SMILES for (3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol is Cc1cc(Br)c(C(O)c2cccc(Cl)c2C)cc1Br.
What is the InChIKey of (3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol?
The InChIKey is JZVQRVLOBNDIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClO/c1-8-6-13(17)11(7-12(8)16)15(19)10-4-3-5-14(18)9(10)2/h3-7,15,19H,1-2H3.
What are the key properties of (3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol?
(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol has a molecular weight of 404.53 g/mol, XLogP of 5.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol is sourced from PubChem (CID 107098922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).