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

C16H17BrO — CID 115791704

IUPAC(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol
SMILESCc1ccc(C(O)c2cccc(C)c2C)cc1Br
InChIInChI=1S/C16H17BrO/c1-10-5-4-6-14(12(10)3)16(18)13-8-7-11(2)15(17)9-13/h4-9,16,18H,1-3H3
InChIKeyKJXRTDWUMJUTSG-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.46
Rot. Bonds2

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

(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol (PubChem CID 115791704) has the molecular formula C16H17BrO and a molecular weight of 305.22 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol
PubChem CID115791704
Molecular FormulaC16H17BrO
Molecular Weight305.22 g/mol
Exact Mass304.05
IUPAC Name(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol
SMILESCc1ccc(C(O)c2cccc(C)c2C)cc1Br
InChIInChI=1S/C16H17BrO/c1-10-5-4-6-14(12(10)3)16(18)13-8-7-11(2)15(17)9-13/h4-9,16,18H,1-3H3
InChIKeyKJXRTDWUMJUTSG-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

(3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol
CID 81476478
(3,4-difluorophenyl)-(2,3-dimethylphenyl)methanol
CID 61088298
(3-bromo-4-methylphenyl)-(3-methylphenyl)methanol
CID 114978122
(3-bromo-4-methylphenyl)-(4-methylnaphthalen-1-yl)methanol
CID 81460126
(2-amino-3-pyridinyl)-(3-bromo-4-methylphenyl)methanol
CID 105402842
(2,3-dimethylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 61100684
(3-bromo-4-fluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 114023972
(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139157
(3-bromo-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanol
CID 81475821
(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanol
CID 81476067
(2-bromo-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114024297
(2,3-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63895822

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol?
The IUPAC name of (3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol (CID 115791704) is (3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol?
The canonical SMILES for (3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol is Cc1ccc(C(O)c2cccc(C)c2C)cc1Br.
What is the InChIKey of (3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol?
The InChIKey is KJXRTDWUMJUTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO/c1-10-5-4-6-14(12(10)3)16(18)13-8-7-11(2)15(17)9-13/h4-9,16,18H,1-3H3.
What are the key properties of (3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol?
(3-bromo-4-methylphenyl)-(2,3-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 (3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol is sourced from PubChem (CID 115791704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).