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

C9H11BrO — CID 23584045

IUPAC(4-bromo-2,5-dimethylphenyl)methanol
SMILESCc1cc(CO)c(C)cc1Br
InChIInChI=1S/C9H11BrO/c1-6-4-9(10)7(2)3-8(6)5-11/h3-4,11H,5H2,1-2H3
InChIKeyDSTSKJCTQWWJDB-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.56
Rot. Bonds1

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

(4-bromo-2,5-dimethylphenyl)methanol (PubChem CID 23584045) has the molecular formula C9H11BrO and a molecular weight of 215.09 g/mol. Its IUPAC name is (4-bromo-2,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2,5-dimethylphenyl)methanol
PubChem CID23584045
Molecular FormulaC9H11BrO
Molecular Weight215.09 g/mol
Exact Mass214.00
IUPAC Name(4-bromo-2,5-dimethylphenyl)methanol
SMILESCc1cc(CO)c(C)cc1Br
InChIInChI=1S/C9H11BrO/c1-6-4-9(10)7(2)3-8(6)5-11/h3-4,11H,5H2,1-2H3
InChIKeyDSTSKJCTQWWJDB-UHFFFAOYSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2,4-dimethylphenyl)methanol;ethane
CID 176929029
(3-bromo-5-methyl-1-benzothiophen-6-yl)methanol
CID 130870514
3-(4-bromo-2,5-dimethylphenyl)propan-1-amine
CID 84801554
1-bromo-2-[(2-bromo-4,5-dimethylphenyl)methyl]-4,5-dimethylbenzene
CID 155667841
(4,5-difluoro-2-methylphenyl)methanol;ethane
CID 154686336
2-(aminomethyl)-5-bromo-4-methylphenol;hydrobromide
CID 178200410
ethane;(5-fluoro-2,4-dimethylphenyl)methanol
CID 154686554
1,5-dibromo-2-methyl-4-propylbenzene
CID 91476014
1-bromo-2-ethyl-4,5-dimethylbenzene
CID 90213759
6-(4-bromo-2,5-dimethylphenyl)-N-methylhexan-1-amine
CID 65306316
(2-bromo-5-methyl-4-nitrophenyl)methanol
CID 119024875
2-[2-(4-bromo-2,5-dimethylphenyl)ethoxy]ethanamine
CID 65305826

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethylphenyl)methanol?
The IUPAC name of (4-bromo-2,5-dimethylphenyl)methanol (CID 23584045) is (4-bromo-2,5-dimethylphenyl)methanol.
What is the SMILES notation for (4-bromo-2,5-dimethylphenyl)methanol?
The canonical SMILES for (4-bromo-2,5-dimethylphenyl)methanol is Cc1cc(CO)c(C)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethylphenyl)methanol?
The InChIKey is DSTSKJCTQWWJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO/c1-6-4-9(10)7(2)3-8(6)5-11/h3-4,11H,5H2,1-2H3.
What are the key properties of (4-bromo-2,5-dimethylphenyl)methanol?
(4-bromo-2,5-dimethylphenyl)methanol has a molecular weight of 215.09 g/mol, XLogP of 2.56, 1 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)methanol is sourced from PubChem (CID 23584045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).