3-prop-2-enylphenol

C9H10O — CID 15300698

IUPAC3-prop-2-enylphenol
SMILESC=CCc1cccc(O)c1
InChIInChI=1S/C9H10O/c1-2-4-8-5-3-6-9(10)7-8/h2-3,5-7,10H,1,4H2
InChIKeyPSXBTXZCQRAZGM-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.12
Rot. Bonds2

About 3-prop-2-enylphenol

3-prop-2-enylphenol (PubChem CID 15300698) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 3-prop-2-enylphenol.

Molecular Properties

Compound Name3-prop-2-enylphenol
PubChem CID15300698
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name3-prop-2-enylphenol
SMILESC=CCc1cccc(O)c1
InChIInChI=1S/C9H10O/c1-2-4-8-5-3-6-9(10)7-8/h2-3,5-7,10H,1,4H2
InChIKeyPSXBTXZCQRAZGM-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-prop-2-enylphenol?
The IUPAC name of 3-prop-2-enylphenol (CID 15300698) is 3-prop-2-enylphenol.
What is the SMILES notation for 3-prop-2-enylphenol?
The canonical SMILES for 3-prop-2-enylphenol is C=CCc1cccc(O)c1.
What is the InChIKey of 3-prop-2-enylphenol?
The InChIKey is PSXBTXZCQRAZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-2-4-8-5-3-6-9(10)7-8/h2-3,5-7,10H,1,4H2.
What are the key properties of 3-prop-2-enylphenol?
3-prop-2-enylphenol has a molecular weight of 134.18 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylphenol is sourced from PubChem (CID 15300698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).