5-benzyl-3,4-dimethylbenzene-1,2-diol

C15H16O2 — CID 163756803

IUPAC5-benzyl-3,4-dimethylbenzene-1,2-diol
SMILESCc1c(Cc2ccccc2)cc(O)c(O)c1C
InChIInChI=1S/C15H16O2/c1-10-11(2)15(17)14(16)9-13(10)8-12-6-4-3-5-7-12/h3-7,9,16-17H,8H2,1-2H3
InChIKeyLUTRZMUZNFSOPX-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.31
Rot. Bonds2

About 5-benzyl-3,4-dimethylbenzene-1,2-diol

5-benzyl-3,4-dimethylbenzene-1,2-diol (PubChem CID 163756803) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 5-benzyl-3,4-dimethylbenzene-1,2-diol.

Molecular Properties

Compound Name5-benzyl-3,4-dimethylbenzene-1,2-diol
PubChem CID163756803
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name5-benzyl-3,4-dimethylbenzene-1,2-diol
SMILESCc1c(Cc2ccccc2)cc(O)c(O)c1C
InChIInChI=1S/C15H16O2/c1-10-11(2)15(17)14(16)9-13(10)8-12-6-4-3-5-7-12/h3-7,9,16-17H,8H2,1-2H3
InChIKeyLUTRZMUZNFSOPX-UHFFFAOYSA-N
XLogP3.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-5-methylbenzene-1,2-diol
CID 146645349
2-benzylphenol;ethane
CID 91068983
4-[(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol;phenol
CID 22601831
2,3,4,5-tetrabenzylphenol
CID 135379668
1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
lithium;2-benzylphenol;hydride
CID 174706000
2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 20743757
4-benzyl-2,3-dimethylnaphthalen-1-ol
CID 141076529
4-benzyl-5-butyl-3-methyl-2-phenylphenol
CID 10359307
2-benzyl-4,5-ditert-butylphenol
CID 21430785
4-benzyl-6-[(4-hydroxy-3-propan-2-ylphenyl)methyl]benzene-1,2,3-triol
CID 58626406
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3,4-dimethylbenzene-1,2-diol?
The IUPAC name of 5-benzyl-3,4-dimethylbenzene-1,2-diol (CID 163756803) is 5-benzyl-3,4-dimethylbenzene-1,2-diol.
What is the SMILES notation for 5-benzyl-3,4-dimethylbenzene-1,2-diol?
The canonical SMILES for 5-benzyl-3,4-dimethylbenzene-1,2-diol is Cc1c(Cc2ccccc2)cc(O)c(O)c1C.
What is the InChIKey of 5-benzyl-3,4-dimethylbenzene-1,2-diol?
The InChIKey is LUTRZMUZNFSOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-10-11(2)15(17)14(16)9-13(10)8-12-6-4-3-5-7-12/h3-7,9,16-17H,8H2,1-2H3.
What are the key properties of 5-benzyl-3,4-dimethylbenzene-1,2-diol?
5-benzyl-3,4-dimethylbenzene-1,2-diol has a molecular weight of 228.29 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3,4-dimethylbenzene-1,2-diol is sourced from PubChem (CID 163756803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).