2-prop-2-enyl-3-propylphenol

C12H16O — CID 19877308

IUPAC2-prop-2-enyl-3-propylphenol
SMILESC=CCc1c(O)cccc1CCC
InChIInChI=1S/C12H16O/c1-3-6-10-8-5-9-12(13)11(10)7-4-2/h4-5,8-9,13H,2-3,6-7H2,1H3
InChIKeyGCXXSUGLDRXZHO-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.07
Rot. Bonds4

About 2-prop-2-enyl-3-propylphenol

2-prop-2-enyl-3-propylphenol (PubChem CID 19877308) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-prop-2-enyl-3-propylphenol.

Molecular Properties

Compound Name2-prop-2-enyl-3-propylphenol
PubChem CID19877308
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2-prop-2-enyl-3-propylphenol
SMILESC=CCc1c(O)cccc1CCC
InChIInChI=1S/C12H16O/c1-3-6-10-8-5-9-12(13)11(10)7-4-2/h4-5,8-9,13H,2-3,6-7H2,1H3
InChIKeyGCXXSUGLDRXZHO-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.07
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-prop-2-enyl-3-propylphenol?
The IUPAC name of 2-prop-2-enyl-3-propylphenol (CID 19877308) is 2-prop-2-enyl-3-propylphenol.
What is the SMILES notation for 2-prop-2-enyl-3-propylphenol?
The canonical SMILES for 2-prop-2-enyl-3-propylphenol is C=CCc1c(O)cccc1CCC.
What is the InChIKey of 2-prop-2-enyl-3-propylphenol?
The InChIKey is GCXXSUGLDRXZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-3-6-10-8-5-9-12(13)11(10)7-4-2/h4-5,8-9,13H,2-3,6-7H2,1H3.
What are the key properties of 2-prop-2-enyl-3-propylphenol?
2-prop-2-enyl-3-propylphenol has a molecular weight of 176.26 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-3-propylphenol is sourced from PubChem (CID 19877308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).