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

C15H13Br2ClO — CID 81473543

IUPAC(3-chloro-4-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cc(Br)c(C)cc2Br)cc1Cl
InChIInChI=1S/C15H13Br2ClO/c1-8-3-4-10(6-14(8)18)15(19)11-7-12(16)9(2)5-13(11)17/h3-7,15,19H,1-2H3
InChIKeyOQQQJHOENSMRAU-UHFFFAOYSA-N
MW404.53 g/mol
LogP5.56
Rot. Bonds2

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

(3-chloro-4-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol (PubChem CID 81473543) has the molecular formula C15H13Br2ClO and a molecular weight of 404.53 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol
PubChem CID81473543
Molecular FormulaC15H13Br2ClO
Molecular Weight404.53 g/mol
Exact Mass401.90
IUPAC Name(3-chloro-4-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cc(Br)c(C)cc2Br)cc1Cl
InChIInChI=1S/C15H13Br2ClO/c1-8-3-4-10(6-14(8)18)15(19)11-7-12(16)9(2)5-13(11)17/h3-7,15,19H,1-2H3
InChIKeyOQQQJHOENSMRAU-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

(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-chloro-4-methylphenyl)methanol
CID 63195028
(4-bromo-3-chlorophenyl)-(3-chloro-4-methylphenyl)methanol
CID 107562230
(2-bromo-4,5-dimethylphenyl)-(4-chlorophenyl)methanol
CID 139494105
(5-bromo-4-fluoro-2-methoxyphenyl)-(3-chloro-4-methylphenyl)methanol
CID 103395986
(2,5-dibromo-4-methylphenyl)-(2,5-dichlorophenyl)methanol
CID 81472697
(4-bromo-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanol
CID 81294913
(2-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 107991315
(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 107098922
1,4-dibromo-2-[(4-bromo-3-chlorophenyl)-chloromethyl]-5-methylbenzene
CID 81472967
(3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105397627
(4-bromo-5-methylthiophen-2-yl)-(3-chloro-4-methylphenyl)methanol
CID 102834859
(2,5-dibromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 81473774

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol?
The IUPAC name of (3-chloro-4-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol (CID 81473543) is (3-chloro-4-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol?
The canonical SMILES for (3-chloro-4-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol is Cc1ccc(C(O)c2cc(Br)c(C)cc2Br)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol?
The InChIKey is OQQQJHOENSMRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClO/c1-8-3-4-10(6-14(8)18)15(19)11-7-12(16)9(2)5-13(11)17/h3-7,15,19H,1-2H3.
What are the key properties of (3-chloro-4-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol?
(3-chloro-4-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-4-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanol is sourced from PubChem (CID 81473543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).