2-cyclopropyl-6-prop-2-enylphenol

C12H14O — CID 15271682

IUPAC2-cyclopropyl-6-prop-2-enylphenol
SMILESC=CCc1cccc(C2CC2)c1O
InChIInChI=1S/C12H14O/c1-2-4-10-5-3-6-11(12(10)13)9-7-8-9/h2-3,5-6,9,13H,1,4,7-8H2
InChIKeyVPLWJJBJSRKNQI-UHFFFAOYSA-N
MW174.24 g/mol
LogP3.00
Rot. Bonds3

About 2-cyclopropyl-6-prop-2-enylphenol

2-cyclopropyl-6-prop-2-enylphenol (PubChem CID 15271682) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-cyclopropyl-6-prop-2-enylphenol.

Molecular Properties

Compound Name2-cyclopropyl-6-prop-2-enylphenol
PubChem CID15271682
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name2-cyclopropyl-6-prop-2-enylphenol
SMILESC=CCc1cccc(C2CC2)c1O
InChIInChI=1S/C12H14O/c1-2-4-10-5-3-6-11(12(10)13)9-7-8-9/h2-3,5-6,9,13H,1,4,7-8H2
InChIKeyVPLWJJBJSRKNQI-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.00
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 2-cyclopropyl-6-prop-2-enylphenol?
The IUPAC name of 2-cyclopropyl-6-prop-2-enylphenol (CID 15271682) is 2-cyclopropyl-6-prop-2-enylphenol.
What is the SMILES notation for 2-cyclopropyl-6-prop-2-enylphenol?
The canonical SMILES for 2-cyclopropyl-6-prop-2-enylphenol is C=CCc1cccc(C2CC2)c1O.
What is the InChIKey of 2-cyclopropyl-6-prop-2-enylphenol?
The InChIKey is VPLWJJBJSRKNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-2-4-10-5-3-6-11(12(10)13)9-7-8-9/h2-3,5-6,9,13H,1,4,7-8H2.
What are the key properties of 2-cyclopropyl-6-prop-2-enylphenol?
2-cyclopropyl-6-prop-2-enylphenol has a molecular weight of 174.24 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-prop-2-enylphenol is sourced from PubChem (CID 15271682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).