4-methoxy-6-prop-2-enylbenzene-1,3-diol

C10H12O3 — CID 15775117

IUPAC4-methoxy-6-prop-2-enylbenzene-1,3-diol
SMILESC=CCc1cc(OC)c(O)cc1O
InChIInChI=1S/C10H12O3/c1-3-4-7-5-10(13-2)9(12)6-8(7)11/h3,5-6,11-12H,1,4H2,2H3
InChIKeyRPEPCEMMUUSYSA-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.83
Rot. Bonds3

About 4-methoxy-6-prop-2-enylbenzene-1,3-diol

4-methoxy-6-prop-2-enylbenzene-1,3-diol (PubChem CID 15775117) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 4-methoxy-6-prop-2-enylbenzene-1,3-diol.

Molecular Properties

Compound Name4-methoxy-6-prop-2-enylbenzene-1,3-diol
PubChem CID15775117
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name4-methoxy-6-prop-2-enylbenzene-1,3-diol
SMILESC=CCc1cc(OC)c(O)cc1O
InChIInChI=1S/C10H12O3/c1-3-4-7-5-10(13-2)9(12)6-8(7)11/h3,5-6,11-12H,1,4H2,2H3
InChIKeyRPEPCEMMUUSYSA-UHFFFAOYSA-N
XLogP1.83
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dihydroxy-5-methoxyphenyl)prop-1-en-1-one
CID 91508925
2,3,4-trimethoxy-6-prop-2-enylphenol
CID 44719618
buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol)
CID 175132786
2,4,5-tris(prop-2-enyl)phenol
CID 20562879
5-methoxy-2-prop-2-enylphenol
CID 6424515
4,5-dimethoxy-2-prop-2-enylaniline
CID 606353
CID 69284850
CID 69284850
2-methoxy-4-prop-2-enylphenol;hydroiodide
CID 172782314
5-methoxybenzene-1,2,4-triol
CID 20551665
4-(4-hydroxy-2-methyl-5-prop-2-enylphenyl)-5-methyl-2-prop-2-enylphenol
CID 54433702
4-(4-methoxyphenyl)-2-prop-2-enylphenol
CID 54757995
4-(2-methoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 11857938

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-prop-2-enylbenzene-1,3-diol?
The IUPAC name of 4-methoxy-6-prop-2-enylbenzene-1,3-diol (CID 15775117) is 4-methoxy-6-prop-2-enylbenzene-1,3-diol.
What is the SMILES notation for 4-methoxy-6-prop-2-enylbenzene-1,3-diol?
The canonical SMILES for 4-methoxy-6-prop-2-enylbenzene-1,3-diol is C=CCc1cc(OC)c(O)cc1O.
What is the InChIKey of 4-methoxy-6-prop-2-enylbenzene-1,3-diol?
The InChIKey is RPEPCEMMUUSYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-3-4-7-5-10(13-2)9(12)6-8(7)11/h3,5-6,11-12H,1,4H2,2H3.
What are the key properties of 4-methoxy-6-prop-2-enylbenzene-1,3-diol?
4-methoxy-6-prop-2-enylbenzene-1,3-diol has a molecular weight of 180.20 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-prop-2-enylbenzene-1,3-diol is sourced from PubChem (CID 15775117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).