(3,4-dimethylphenyl)methanol

C9H12O — CID 23407

IUPAC(3,4-dimethylphenyl)methanol
SMILESCc1ccc(CO)cc1C
InChIInChI=1S/C9H12O/c1-7-3-4-9(6-10)5-8(7)2/h3-5,10H,6H2,1-2H3
InChIKeyOKGZCXPDJKKZAP-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.80
Rot. Bonds1

About (3,4-dimethylphenyl)methanol

(3,4-dimethylphenyl)methanol (PubChem CID 23407) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is (3,4-dimethylphenyl)methanol.

Molecular Properties

Compound Name(3,4-dimethylphenyl)methanol
PubChem CID23407
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name(3,4-dimethylphenyl)methanol
SMILESCc1ccc(CO)cc1C
InChIInChI=1S/C9H12O/c1-7-3-4-9(6-10)5-8(7)2/h3-5,10H,6H2,1-2H3
InChIKeyOKGZCXPDJKKZAP-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)methanol?
The IUPAC name of (3,4-dimethylphenyl)methanol (CID 23407) is (3,4-dimethylphenyl)methanol.
What is the SMILES notation for (3,4-dimethylphenyl)methanol?
The canonical SMILES for (3,4-dimethylphenyl)methanol is Cc1ccc(CO)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)methanol?
The InChIKey is OKGZCXPDJKKZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-7-3-4-9(6-10)5-8(7)2/h3-5,10H,6H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)methanol?
(3,4-dimethylphenyl)methanol has a molecular weight of 136.19 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)methanol is sourced from PubChem (CID 23407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).