[2-[(Z)-3-oxonon-1-enyl]phenyl] (Z)-but-2-enoate

C19H24O3 — CID 92529134

IUPAC[2-[(Z)-3-oxonon-1-enyl]phenyl] (Z)-but-2-enoate
SMILESC/C=C\C(=O)Oc1ccccc1/C=C\C(=O)CCCCCC
InChIInChI=1S/C19H24O3/c1-3-5-6-7-12-17(20)15-14-16-11-8-9-13-18(16)22-19(21)10-4-2/h4,8-11,13-15H,3,5-7,12H2,1-2H3/b10-4-,15-14-
InChIKeyBZHUPZHDWXVKBD-LEBVXGAISA-N
MW300.40 g/mol
LogP4.72
Rot. Bonds9

About [2-[(Z)-3-oxonon-1-enyl]phenyl] (Z)-but-2-enoate

[2-[(Z)-3-oxonon-1-enyl]phenyl] (Z)-but-2-enoate (PubChem CID 92529134) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is [2-[(Z)-3-oxonon-1-enyl]phenyl] (Z)-but-2-enoate.

Molecular Properties

Compound Name[2-[(Z)-3-oxonon-1-enyl]phenyl] (Z)-but-2-enoate
PubChem CID92529134
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name[2-[(Z)-3-oxonon-1-enyl]phenyl] (Z)-but-2-enoate
SMILESC/C=C\C(=O)Oc1ccccc1/C=C\C(=O)CCCCCC
InChIInChI=1S/C19H24O3/c1-3-5-6-7-12-17(20)15-14-16-11-8-9-13-18(16)22-19(21)10-4-2/h4,8-11,13-15H,3,5-7,12H2,1-2H3/b10-4-,15-14-
InChIKeyBZHUPZHDWXVKBD-LEBVXGAISA-N
XLogP4.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2-[(Z)-3-oxonon-1-enyl]phenyl] (Z)-but-2-enoate 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

(Z)-1-(2-methoxyphenyl)non-1-en-3-one
CID 92528941
(E)-1-(2-methoxyphenyl)oct-1-en-3-one
CID 135037607
(E)-1-(2-methoxyphenyl)hept-1-en-3-one
CID 132991130
(E)-1-(2-hydroxy-3-methoxyphenyl)oct-1-en-3-one
CID 15094917
(Z)-1-phenyltetradec-1-en-3-one
CID 98536945
1-phenylundec-1-en-3-one
CID 3805572
(2-heptyl-3-methylphenyl) but-2-enoate
CID 70473579
tridec-2-en-4-one
CID 3025768
(E)-undec-2-en-4-one
CID 11550066
undec-2-en-4-one
CID 54475106
3-(2-undecoxyphenyl)prop-2-enoic acid
CID 139730297
ethyl (E)-3-(2-heptoxyphenyl)prop-2-enoate
CID 69051271

Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-3-oxonon-1-enyl]phenyl] (Z)-but-2-enoate?
The IUPAC name of [2-[(Z)-3-oxonon-1-enyl]phenyl] (Z)-but-2-enoate (CID 92529134) is [2-[(Z)-3-oxonon-1-enyl]phenyl] (Z)-but-2-enoate.
What is the SMILES notation for [2-[(Z)-3-oxonon-1-enyl]phenyl] (Z)-but-2-enoate?
The canonical SMILES for [2-[(Z)-3-oxonon-1-enyl]phenyl] (Z)-but-2-enoate is C/C=C\C(=O)Oc1ccccc1/C=C\C(=O)CCCCCC.
What is the InChIKey of [2-[(Z)-3-oxonon-1-enyl]phenyl] (Z)-but-2-enoate?
The InChIKey is BZHUPZHDWXVKBD-LEBVXGAISA-N. The full InChI is InChI=1S/C19H24O3/c1-3-5-6-7-12-17(20)15-14-16-11-8-9-13-18(16)22-19(21)10-4-2/h4,8-11,13-15H,3,5-7,12H2,1-2H3/b10-4-,15-14-.
What are the key properties of [2-[(Z)-3-oxonon-1-enyl]phenyl] (Z)-but-2-enoate?
[2-[(Z)-3-oxonon-1-enyl]phenyl] (Z)-but-2-enoate has a molecular weight of 300.40 g/mol, XLogP of 4.72, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-3-oxonon-1-enyl]phenyl] (Z)-but-2-enoate is sourced from PubChem (CID 92529134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).