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

C15H13Br3O — CID 114374820

IUPAC(4-bromo-2,5-dimethylphenyl)-(2,5-dibromophenyl)methanol
SMILESCc1cc(C(O)c2cc(Br)ccc2Br)c(C)cc1Br
InChIInChI=1S/C15H13Br3O/c1-8-6-14(18)9(2)5-11(8)15(19)12-7-10(16)3-4-13(12)17/h3-7,15,19H,1-2H3
InChIKeyDDRYRCUQABCWRJ-UHFFFAOYSA-N
MW448.98 g/mol
LogP5.67
Rot. Bonds2

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

(4-bromo-2,5-dimethylphenyl)-(2,5-dibromophenyl)methanol (PubChem CID 114374820) has the molecular formula C15H13Br3O and a molecular weight of 448.98 g/mol. Its IUPAC name is (4-bromo-2,5-dimethylphenyl)-(2,5-dibromophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2,5-dimethylphenyl)-(2,5-dibromophenyl)methanol
PubChem CID114374820
Molecular FormulaC15H13Br3O
Molecular Weight448.98 g/mol
Exact Mass445.85
IUPAC Name(4-bromo-2,5-dimethylphenyl)-(2,5-dibromophenyl)methanol
SMILESCc1cc(C(O)c2cc(Br)ccc2Br)c(C)cc1Br
InChIInChI=1S/C15H13Br3O/c1-8-6-14(18)9(2)5-11(8)15(19)12-7-10(16)3-4-13(12)17/h3-7,15,19H,1-2H3
InChIKeyDDRYRCUQABCWRJ-UHFFFAOYSA-N
XLogP5.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.98
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-dibromophenyl)-(2,4,5-trimethylphenyl)methanol
CID 107947548
(4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 115369780
(2,5-dibromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102759051
(5-bromo-2-fluorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 64985386
(5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 115807083
(4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol
CID 115369715
(5-bromo-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanol
CID 115820779
(2,5-dibromophenyl)-(5-methylfuran-2-yl)methanol
CID 61099394
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 115831252
(4-bromo-2-methylphenyl)-(2,4-dimethylphenyl)methanol
CID 61101101
(2-bromo-5-fluorophenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794207
(2,4-dibromophenyl)-(2,4-dimethylphenyl)methanol
CID 107947470

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethylphenyl)-(2,5-dibromophenyl)methanol?
The IUPAC name of (4-bromo-2,5-dimethylphenyl)-(2,5-dibromophenyl)methanol (CID 114374820) is (4-bromo-2,5-dimethylphenyl)-(2,5-dibromophenyl)methanol.
What is the SMILES notation for (4-bromo-2,5-dimethylphenyl)-(2,5-dibromophenyl)methanol?
The canonical SMILES for (4-bromo-2,5-dimethylphenyl)-(2,5-dibromophenyl)methanol is Cc1cc(C(O)c2cc(Br)ccc2Br)c(C)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethylphenyl)-(2,5-dibromophenyl)methanol?
The InChIKey is DDRYRCUQABCWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br3O/c1-8-6-14(18)9(2)5-11(8)15(19)12-7-10(16)3-4-13(12)17/h3-7,15,19H,1-2H3.
What are the key properties of (4-bromo-2,5-dimethylphenyl)-(2,5-dibromophenyl)methanol?
(4-bromo-2,5-dimethylphenyl)-(2,5-dibromophenyl)methanol has a molecular weight of 448.98 g/mol, XLogP of 5.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-dimethylphenyl)-(2,5-dibromophenyl)methanol is sourced from PubChem (CID 114374820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).