[(Z)-5-(2-hydroxyphenyl)pent-2-enyl] acetate

C13H16O3 — CID 57337895

IUPAC[(Z)-5-(2-hydroxyphenyl)pent-2-enyl] acetate
SMILESCC(=O)OC/C=C\CCc1ccccc1O
InChIInChI=1S/C13H16O3/c1-11(14)16-10-6-2-3-7-12-8-4-5-9-13(12)15/h2,4-6,8-9,15H,3,7,10H2,1H3/b6-2-
InChIKeyMMHRCWZALPSPRN-KXFIGUGUSA-N
MW220.27 g/mol
LogP2.44
Rot. Bonds5

About [(Z)-5-(2-hydroxyphenyl)pent-2-enyl] acetate

[(Z)-5-(2-hydroxyphenyl)pent-2-enyl] acetate (PubChem CID 57337895) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is [(Z)-5-(2-hydroxyphenyl)pent-2-enyl] acetate.

Molecular Properties

Compound Name[(Z)-5-(2-hydroxyphenyl)pent-2-enyl] acetate
PubChem CID57337895
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name[(Z)-5-(2-hydroxyphenyl)pent-2-enyl] acetate
SMILESCC(=O)OC/C=C\CCc1ccccc1O
InChIInChI=1S/C13H16O3/c1-11(14)16-10-6-2-3-7-12-8-4-5-9-13(12)15/h2,4-6,8-9,15H,3,7,10H2,1H3/b6-2-
InChIKeyMMHRCWZALPSPRN-KXFIGUGUSA-N
XLogP2.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(Z)-5-(2-hydroxyphenyl)pent-2-enyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-5-(2-hydroxyphenyl)pent-2-enyl] methyl carbonate
CID 101015605
2-[(E)-hex-3-enyl]phenol
CID 21272840
2-[(E)-5-hydroxypent-3-enyl]phenol
CID 57337479
1-ethenyl-2,3-dihydro-1H-indene;[(Z)-5-(2-iodophenyl)pent-2-enyl] acetate
CID 158752999
[(Z)-5-(5-fluoro-2-hydroxyphenyl)pent-2-enyl] methyl carbonate
CID 101259587
methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319
methane;3-phenylprop-2-enyl acetate
CID 161251880
ethanol;ethyl acetate;2-nonylphenol
CID 174437442
[(E)-hex-2-enyl] 2-hydroxybenzoate
CID 6437473
6-acetyloxyhex-4-enoic acid
CID 54335921
3-phenylsulfanylprop-2-enyl acetate
CID 85397386
7-oxooct-2-enyl acetate
CID 71362074

Frequently Asked Questions

What is the IUPAC name of [(Z)-5-(2-hydroxyphenyl)pent-2-enyl] acetate?
The IUPAC name of [(Z)-5-(2-hydroxyphenyl)pent-2-enyl] acetate (CID 57337895) is [(Z)-5-(2-hydroxyphenyl)pent-2-enyl] acetate.
What is the SMILES notation for [(Z)-5-(2-hydroxyphenyl)pent-2-enyl] acetate?
The canonical SMILES for [(Z)-5-(2-hydroxyphenyl)pent-2-enyl] acetate is CC(=O)OC/C=C\CCc1ccccc1O.
What is the InChIKey of [(Z)-5-(2-hydroxyphenyl)pent-2-enyl] acetate?
The InChIKey is MMHRCWZALPSPRN-KXFIGUGUSA-N. The full InChI is InChI=1S/C13H16O3/c1-11(14)16-10-6-2-3-7-12-8-4-5-9-13(12)15/h2,4-6,8-9,15H,3,7,10H2,1H3/b6-2-.
What are the key properties of [(Z)-5-(2-hydroxyphenyl)pent-2-enyl] acetate?
[(Z)-5-(2-hydroxyphenyl)pent-2-enyl] acetate has a molecular weight of 220.27 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5-(2-hydroxyphenyl)pent-2-enyl] acetate is sourced from PubChem (CID 57337895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).