(4-bromo-3,5-dimethylphenyl)methanol

C9H11BrO — CID 2727483

IUPAC(4-bromo-3,5-dimethylphenyl)methanol
SMILESCc1cc(CO)cc(C)c1Br
InChIInChI=1S/C9H11BrO/c1-6-3-8(5-11)4-7(2)9(6)10/h3-4,11H,5H2,1-2H3
InChIKeyDEDZNWRBWULRPT-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.56
Rot. Bonds1

About (4-bromo-3,5-dimethylphenyl)methanol

(4-bromo-3,5-dimethylphenyl)methanol (PubChem CID 2727483) has the molecular formula C9H11BrO and a molecular weight of 215.09 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)methanol
PubChem CID2727483
Molecular FormulaC9H11BrO
Molecular Weight215.09 g/mol
Exact Mass214.00
IUPAC Name(4-bromo-3,5-dimethylphenyl)methanol
SMILESCc1cc(CO)cc(C)c1Br
InChIInChI=1S/C9H11BrO/c1-6-3-8(5-11)4-7(2)9(6)10/h3-4,11H,5H2,1-2H3
InChIKeyDEDZNWRBWULRPT-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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Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)methanol?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)methanol (CID 2727483) is (4-bromo-3,5-dimethylphenyl)methanol.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)methanol?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)methanol is Cc1cc(CO)cc(C)c1Br.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)methanol?
The InChIKey is DEDZNWRBWULRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO/c1-6-3-8(5-11)4-7(2)9(6)10/h3-4,11H,5H2,1-2H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)methanol?
(4-bromo-3,5-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-3,5-dimethylphenyl)methanol is sourced from PubChem (CID 2727483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).