4-methyl-5-prop-2-enylbenzene-1,2-diol

C10H12O2 — CID 12635732

IUPAC4-methyl-5-prop-2-enylbenzene-1,2-diol
SMILESC=CCc1cc(O)c(O)cc1C
InChIInChI=1S/C10H12O2/c1-3-4-8-6-10(12)9(11)5-7(8)2/h3,5-6,11-12H,1,4H2,2H3
InChIKeyOKAILJSRZHLPSS-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.13
Rot. Bonds2

About 4-methyl-5-prop-2-enylbenzene-1,2-diol

4-methyl-5-prop-2-enylbenzene-1,2-diol (PubChem CID 12635732) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 4-methyl-5-prop-2-enylbenzene-1,2-diol.

Molecular Properties

Compound Name4-methyl-5-prop-2-enylbenzene-1,2-diol
PubChem CID12635732
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name4-methyl-5-prop-2-enylbenzene-1,2-diol
SMILESC=CCc1cc(O)c(O)cc1C
InChIInChI=1S/C10H12O2/c1-3-4-8-6-10(12)9(11)5-7(8)2/h3,5-6,11-12H,1,4H2,2H3
InChIKeyOKAILJSRZHLPSS-UHFFFAOYSA-N
XLogP2.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.13
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-methyl-4-prop-2-enylphenol
CID 163979621
4-(4-hydroxy-2-methyl-5-prop-2-enylphenyl)-5-methyl-2-prop-2-enylphenol
CID 54433702
4-bromo-5-methyl-2-prop-2-enylphenol
CID 142719301
1-ethyl-2,5-dimethyl-4-prop-2-enylbenzene
CID 147152105
2,4,5-tris(prop-2-enyl)phenol
CID 20562879
4-[(4,5-dihydroxy-2-methylphenyl)methyl]-5-methylbenzene-1,2-diol
CID 22925792
4-ethyl-5-methylbenzene-1,2-diol
CID 66591490
N'-hydroxy-2,5-dimethyl-4-prop-2-enylbenzenecarboximidamide
CID 123623623
2,4-dimethyl-5-[(2E)-penta-2,4-dienyl]phenol
CID 13493591
4-(diethylaminomethyl)-5-methylbenzene-1,2-diol
CID 23591531
4-hydroxy-3-methyl-5-prop-2-enylbenzaldehyde
CID 59720398
3,4-bis(prop-2-enyl)benzene-1,2-diol;4,5-bis(prop-2-enyl)benzene-1,2-diol
CID 157436892

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-prop-2-enylbenzene-1,2-diol?
The IUPAC name of 4-methyl-5-prop-2-enylbenzene-1,2-diol (CID 12635732) is 4-methyl-5-prop-2-enylbenzene-1,2-diol.
What is the SMILES notation for 4-methyl-5-prop-2-enylbenzene-1,2-diol?
The canonical SMILES for 4-methyl-5-prop-2-enylbenzene-1,2-diol is C=CCc1cc(O)c(O)cc1C.
What is the InChIKey of 4-methyl-5-prop-2-enylbenzene-1,2-diol?
The InChIKey is OKAILJSRZHLPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-3-4-8-6-10(12)9(11)5-7(8)2/h3,5-6,11-12H,1,4H2,2H3.
What are the key properties of 4-methyl-5-prop-2-enylbenzene-1,2-diol?
4-methyl-5-prop-2-enylbenzene-1,2-diol has a molecular weight of 164.20 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-prop-2-enylbenzene-1,2-diol is sourced from PubChem (CID 12635732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).