5-ethenyl-3-methylbenzene-1,2-diol

C9H10O2 — CID 151306271

IUPAC5-ethenyl-3-methylbenzene-1,2-diol
SMILESC=Cc1cc(C)c(O)c(O)c1
InChIInChI=1S/C9H10O2/c1-3-7-4-6(2)9(11)8(10)5-7/h3-5,10-11H,1H2,2H3
InChIKeyODMABXQDXMUNAU-UHFFFAOYSA-N
MW150.18 g/mol
LogP2.05
Rot. Bonds1

About 5-ethenyl-3-methylbenzene-1,2-diol

5-ethenyl-3-methylbenzene-1,2-diol (PubChem CID 151306271) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 5-ethenyl-3-methylbenzene-1,2-diol.

Molecular Properties

Compound Name5-ethenyl-3-methylbenzene-1,2-diol
PubChem CID151306271
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name5-ethenyl-3-methylbenzene-1,2-diol
SMILESC=Cc1cc(C)c(O)c(O)c1
InChIInChI=1S/C9H10O2/c1-3-7-4-6(2)9(11)8(10)5-7/h3-5,10-11H,1H2,2H3
InChIKeyODMABXQDXMUNAU-UHFFFAOYSA-N
XLogP2.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 52.05
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

2,3-bis(ethenyl)-4,6-dimethylphenol;ethane
CID 144779351
4-[2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-2,6-dimethylphenol
CID 54449458
5-(3,4-dihydroxy-5-methylphenyl)-3-methylbenzene-1,2-diol
CID 142760792
5-(2-deuterioethenyl)benzene-1,2,3-triol
CID 141351045
4-ethenyl-2-methylphenol;styrene
CID 158833032
5-(4-hydroxy-3,5-dimethylphenyl)-3-methylbenzene-1,2-diol
CID 130228173
1,3,5-tris(ethenyl)benzene
CID 10219562
(4-ethenyl-2,6-dimethylphenyl)-phosphorosomethanone
CID 23505035
2,6-dimethyl-4-(2-methylprop-1-enyl)phenol
CID 54502544
ethane;4-ethenyl-1,2-dimethylbenzene
CID 142852203
methyl 4-ethenyl-2-fluoro-6-methylbenzoate
CID 155482448
4-amino-2,3-bis(ethenyl)-6-methylphenol
CID 163302498

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-methylbenzene-1,2-diol?
The IUPAC name of 5-ethenyl-3-methylbenzene-1,2-diol (CID 151306271) is 5-ethenyl-3-methylbenzene-1,2-diol.
What is the SMILES notation for 5-ethenyl-3-methylbenzene-1,2-diol?
The canonical SMILES for 5-ethenyl-3-methylbenzene-1,2-diol is C=Cc1cc(C)c(O)c(O)c1.
What is the InChIKey of 5-ethenyl-3-methylbenzene-1,2-diol?
The InChIKey is ODMABXQDXMUNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-3-7-4-6(2)9(11)8(10)5-7/h3-5,10-11H,1H2,2H3.
What are the key properties of 5-ethenyl-3-methylbenzene-1,2-diol?
5-ethenyl-3-methylbenzene-1,2-diol has a molecular weight of 150.18 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-methylbenzene-1,2-diol is sourced from PubChem (CID 151306271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).