(2-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanol

C16H17BrO — CID 107983313

IUPAC(2-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanol
SMILESCc1ccc(C(O)c2cccc(C)c2Br)c(C)c1
InChIInChI=1S/C16H17BrO/c1-10-7-8-13(12(3)9-10)16(18)14-6-4-5-11(2)15(14)17/h4-9,16,18H,1-3H3
InChIKeyLODHDDQNTRUPNY-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.46
Rot. Bonds2

About (2-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanol

(2-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanol (PubChem CID 107983313) has the molecular formula C16H17BrO and a molecular weight of 305.22 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanol
PubChem CID107983313
Molecular FormulaC16H17BrO
Molecular Weight305.22 g/mol
Exact Mass304.05
IUPAC Name(2-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanol
SMILESCc1ccc(C(O)c2cccc(C)c2Br)c(C)c1
InChIInChI=1S/C16H17BrO/c1-10-7-8-13(12(3)9-10)16(18)14-6-4-5-11(2)15(14)17/h4-9,16,18H,1-3H3
InChIKeyLODHDDQNTRUPNY-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-3-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 114023965
(4-bromo-2-methylphenyl)-(2,4-dimethylphenyl)methanol
CID 61101101
(2-bromo-3-methylphenyl)-(4-chloro-2-fluorophenyl)methanol
CID 107985803
(2,4-dibromophenyl)-(2,4-dimethylphenyl)methanol
CID 107947470
(2-bromo-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114024273
(2-bromo-3-methylphenyl)-phenylmethanol
CID 107983305
(2-bromo-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 107985786
(2-bromo-3-methylphenyl)-(2,5-difluorophenyl)methanol
CID 107983315
(2,4-dimethylphenyl)-phenylmethanol
CID 3807153
(2,4-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 61101273
(2,4-dimethylphenyl)-quinolin-8-ylmethanol
CID 62875063
(4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-methylphenyl)methanol
CID 107983413

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanol?
The IUPAC name of (2-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanol (CID 107983313) is (2-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanol.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanol?
The canonical SMILES for (2-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanol is Cc1ccc(C(O)c2cccc(C)c2Br)c(C)c1.
What is the InChIKey of (2-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanol?
The InChIKey is LODHDDQNTRUPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO/c1-10-7-8-13(12(3)9-10)16(18)14-6-4-5-11(2)15(14)17/h4-9,16,18H,1-3H3.
What are the key properties of (2-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanol?
(2-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanol has a molecular weight of 305.22 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanol is sourced from PubChem (CID 107983313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).