4-benzyl-5-methylbenzene-1,2-diol

C14H14O2 — CID 146645349

IUPAC4-benzyl-5-methylbenzene-1,2-diol
SMILESCc1cc(O)c(O)cc1Cc1ccccc1
InChIInChI=1S/C14H14O2/c1-10-7-13(15)14(16)9-12(10)8-11-5-3-2-4-6-11/h2-7,9,15-16H,8H2,1H3
InChIKeyKJGJXUJVDUYBCU-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.00
Rot. Bonds2

About 4-benzyl-5-methylbenzene-1,2-diol

4-benzyl-5-methylbenzene-1,2-diol (PubChem CID 146645349) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-benzyl-5-methylbenzene-1,2-diol.

Molecular Properties

Compound Name4-benzyl-5-methylbenzene-1,2-diol
PubChem CID146645349
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name4-benzyl-5-methylbenzene-1,2-diol
SMILESCc1cc(O)c(O)cc1Cc1ccccc1
InChIInChI=1S/C14H14O2/c1-10-7-13(15)14(16)9-12(10)8-11-5-3-2-4-6-11/h2-7,9,15-16H,8H2,1H3
InChIKeyKJGJXUJVDUYBCU-UHFFFAOYSA-N
XLogP3.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.00
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

1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
4-[(4-hydroxyphenyl)methyl]-5-methylbenzene-1,2-diol
CID 22925896
4-[(4,5-dihydroxy-2-methylphenyl)methyl]-5-methylbenzene-1,2-diol
CID 22925792
5-benzyl-3,4-dimethylbenzene-1,2-diol
CID 163756803
2-benzylphenol;ethane
CID 91068983
2,3,4,5-tetrabenzylphenol
CID 135379668
4-[(2-hydroxyphenyl)methyl]-2,5-dimethylphenol
CID 18000570
4-benzyl-3-methylaniline
CID 12846586
chloro-tris(2,4-dibenzyl-5-methylphenyl)silane
CID 88962437
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
3-benzyl-4-methylbenzoic acid
CID 22349488
lithium;2-benzylphenol;hydride
CID 174706000

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-methylbenzene-1,2-diol?
The IUPAC name of 4-benzyl-5-methylbenzene-1,2-diol (CID 146645349) is 4-benzyl-5-methylbenzene-1,2-diol.
What is the SMILES notation for 4-benzyl-5-methylbenzene-1,2-diol?
The canonical SMILES for 4-benzyl-5-methylbenzene-1,2-diol is Cc1cc(O)c(O)cc1Cc1ccccc1.
What is the InChIKey of 4-benzyl-5-methylbenzene-1,2-diol?
The InChIKey is KJGJXUJVDUYBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-10-7-13(15)14(16)9-12(10)8-11-5-3-2-4-6-11/h2-7,9,15-16H,8H2,1H3.
What are the key properties of 4-benzyl-5-methylbenzene-1,2-diol?
4-benzyl-5-methylbenzene-1,2-diol has a molecular weight of 214.26 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-methylbenzene-1,2-diol is sourced from PubChem (CID 146645349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).