3-phenylmethoxy-4-prop-2-enylphenol

C16H16O2 — CID 174520142

IUPAC3-phenylmethoxy-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)cc1OCc1ccccc1
InChIInChI=1S/C16H16O2/c1-2-6-14-9-10-15(17)11-16(14)18-12-13-7-4-3-5-8-13/h2-5,7-11,17H,1,6,12H2
InChIKeyXIYCIRPXJSEOQO-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.70
Rot. Bonds5

About 3-phenylmethoxy-4-prop-2-enylphenol

3-phenylmethoxy-4-prop-2-enylphenol (PubChem CID 174520142) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-phenylmethoxy-4-prop-2-enylphenol.

Molecular Properties

Compound Name3-phenylmethoxy-4-prop-2-enylphenol
PubChem CID174520142
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name3-phenylmethoxy-4-prop-2-enylphenol
SMILESC=CCc1ccc(O)cc1OCc1ccccc1
InChIInChI=1S/C16H16O2/c1-2-6-14-9-10-15(17)11-16(14)18-12-13-7-4-3-5-8-13/h2-5,7-11,17H,1,6,12H2
InChIKeyXIYCIRPXJSEOQO-UHFFFAOYSA-N
XLogP3.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-4-prop-2-enylphenol?
The IUPAC name of 3-phenylmethoxy-4-prop-2-enylphenol (CID 174520142) is 3-phenylmethoxy-4-prop-2-enylphenol.
What is the SMILES notation for 3-phenylmethoxy-4-prop-2-enylphenol?
The canonical SMILES for 3-phenylmethoxy-4-prop-2-enylphenol is C=CCc1ccc(O)cc1OCc1ccccc1.
What is the InChIKey of 3-phenylmethoxy-4-prop-2-enylphenol?
The InChIKey is XIYCIRPXJSEOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-2-6-14-9-10-15(17)11-16(14)18-12-13-7-4-3-5-8-13/h2-5,7-11,17H,1,6,12H2.
What are the key properties of 3-phenylmethoxy-4-prop-2-enylphenol?
3-phenylmethoxy-4-prop-2-enylphenol has a molecular weight of 240.30 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-4-prop-2-enylphenol is sourced from PubChem (CID 174520142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).