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

C16H17BrO — CID 61101101

IUPAC(4-bromo-2-methylphenyl)-(2,4-dimethylphenyl)methanol
SMILESCc1ccc(C(O)c2ccc(Br)cc2C)c(C)c1
InChIInChI=1S/C16H17BrO/c1-10-4-6-14(11(2)8-10)16(18)15-7-5-13(17)9-12(15)3/h4-9,16,18H,1-3H3
InChIKeyIDIGNKFLMVDWPC-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.46
Rot. Bonds2

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

(4-bromo-2-methylphenyl)-(2,4-dimethylphenyl)methanol (PubChem CID 61101101) has the molecular formula C16H17BrO and a molecular weight of 305.22 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(2,4-dimethylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(2,4-dimethylphenyl)methanol
PubChem CID61101101
Molecular FormulaC16H17BrO
Molecular Weight305.22 g/mol
Exact Mass304.05
IUPAC Name(4-bromo-2-methylphenyl)-(2,4-dimethylphenyl)methanol
SMILESCc1ccc(C(O)c2ccc(Br)cc2C)c(C)c1
InChIInChI=1S/C16H17BrO/c1-10-4-6-14(11(2)8-10)16(18)15-7-5-13(17)9-12(15)3/h4-9,16,18H,1-3H3
InChIKeyIDIGNKFLMVDWPC-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

(2,4-dibromophenyl)-(2,4-dimethylphenyl)methanol
CID 107947470
(4-bromo-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanol
CID 62302334
(2-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanol
CID 107983313
(2,4-dibromophenyl)-(2,5-dimethylphenyl)methanol
CID 114019435
(4-bromo-2-methylphenyl)-(2,4-difluorophenyl)methanol
CID 61087729
(2,4-dibromophenyl)-(2,4,5-trimethylphenyl)methanol
CID 107947548
(2,4-dimethylphenyl)-phenylmethanol
CID 3807153
(2,4-dimethylphenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 63426281
(2,4-dimethylphenyl)-(2,6-dimethyl-3-pyridinyl)methanol
CID 115604805
(4-bromo-2-methylphenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 104546259
1,4-dibromo-2-[chloro-(2,4-dimethylphenyl)methyl]benzene
CID 63429818
(2,5-dibromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102759051

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(2,4-dimethylphenyl)methanol?
The IUPAC name of (4-bromo-2-methylphenyl)-(2,4-dimethylphenyl)methanol (CID 61101101) is (4-bromo-2-methylphenyl)-(2,4-dimethylphenyl)methanol.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(2,4-dimethylphenyl)methanol?
The canonical SMILES for (4-bromo-2-methylphenyl)-(2,4-dimethylphenyl)methanol is Cc1ccc(C(O)c2ccc(Br)cc2C)c(C)c1.
What is the InChIKey of (4-bromo-2-methylphenyl)-(2,4-dimethylphenyl)methanol?
The InChIKey is IDIGNKFLMVDWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO/c1-10-4-6-14(11(2)8-10)16(18)15-7-5-13(17)9-12(15)3/h4-9,16,18H,1-3H3.
What are the key properties of (4-bromo-2-methylphenyl)-(2,4-dimethylphenyl)methanol?
(4-bromo-2-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 (4-bromo-2-methylphenyl)-(2,4-dimethylphenyl)methanol is sourced from PubChem (CID 61101101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).