2-pent-1-en-3-ylphenol

C11H14O — CID 13031544

IUPAC2-pent-1-en-3-ylphenol
SMILESC=CC(CC)c1ccccc1O
InChIInChI=1S/C11H14O/c1-3-9(4-2)10-7-5-6-8-11(10)12/h3,5-9,12H,1,4H2,2H3
InChIKeyBBPNYOOKIMEKAT-UHFFFAOYSA-N
MW162.23 g/mol
LogP3.07
Rot. Bonds3

About 2-pent-1-en-3-ylphenol

2-pent-1-en-3-ylphenol (PubChem CID 13031544) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-pent-1-en-3-ylphenol.

Molecular Properties

Compound Name2-pent-1-en-3-ylphenol
PubChem CID13031544
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name2-pent-1-en-3-ylphenol
SMILESC=CC(CC)c1ccccc1O
InChIInChI=1S/C11H14O/c1-3-9(4-2)10-7-5-6-8-11(10)12/h3,5-9,12H,1,4H2,2H3
InChIKeyBBPNYOOKIMEKAT-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
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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Related Compounds

2-oct-1-en-3-ylphenol
CID 174457619
2-pentadec-1-en-3-ylphenol
CID 67611246
2-[(E)-1-phenylpent-1-en-3-yl]phenol
CID 13258003
2-butan-2-ylphenol;formaldehyde
CID 66765994
2-(4-methylpent-1-en-3-yl)phenol
CID 15879996
2-(1-fluoroprop-2-enyl)phenol
CID 69237560
2-[(1R)-1-aminoprop-2-enyl]phenol
CID 55278919
1-(2-hydroxyphenyl)propyl-trimethylazanium iodide
CID 3026624
3-(4-hydroxyhex-5-en-3-yl)benzene-1,2-diol
CID 174741450
2-[1-(methylamino)propyl]phenol
CID 12862798
2-[(4S)-5-(dimethylamino)-4-methylpent-1-en-3-yl]phenol
CID 68829740
1-(2-hydroxyphenyl)propyl formate
CID 173345342

Frequently Asked Questions

What is the IUPAC name of 2-pent-1-en-3-ylphenol?
The IUPAC name of 2-pent-1-en-3-ylphenol (CID 13031544) is 2-pent-1-en-3-ylphenol.
What is the SMILES notation for 2-pent-1-en-3-ylphenol?
The canonical SMILES for 2-pent-1-en-3-ylphenol is C=CC(CC)c1ccccc1O.
What is the InChIKey of 2-pent-1-en-3-ylphenol?
The InChIKey is BBPNYOOKIMEKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-3-9(4-2)10-7-5-6-8-11(10)12/h3,5-9,12H,1,4H2,2H3.
What are the key properties of 2-pent-1-en-3-ylphenol?
2-pent-1-en-3-ylphenol has a molecular weight of 162.23 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-1-en-3-ylphenol is sourced from PubChem (CID 13031544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).