2-[3-[(Z)-2-ethenylideneoct-6-enyl]phenyl]propanoic acid

C19H24O2 — CID 143113792

IUPAC2-[3-[(Z)-2-ethenylideneoct-6-enyl]phenyl]propanoic acid
SMILESC=C=C(CCC/C=C\C)Cc1cccc(C(C)C(=O)O)c1
InChIInChI=1S/C19H24O2/c1-4-6-7-8-10-16(5-2)13-17-11-9-12-18(14-17)15(3)19(20)21/h4,6,9,11-12,14-15H,2,7-8,10,13H2,1,3H3,(H,20,21)/b6-4-
InChIKeyYELLXIQFGHFLLZ-XQRVVYSFSA-N
MW284.40 g/mol
LogP4.87
Rot. Bonds8

About 2-[3-[(Z)-2-ethenylideneoct-6-enyl]phenyl]propanoic acid

2-[3-[(Z)-2-ethenylideneoct-6-enyl]phenyl]propanoic acid (PubChem CID 143113792) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[3-[(Z)-2-ethenylideneoct-6-enyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[3-[(Z)-2-ethenylideneoct-6-enyl]phenyl]propanoic acid
PubChem CID143113792
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name2-[3-[(Z)-2-ethenylideneoct-6-enyl]phenyl]propanoic acid
SMILESC=C=C(CCC/C=C\C)Cc1cccc(C(C)C(=O)O)c1
InChIInChI=1S/C19H24O2/c1-4-6-7-8-10-16(5-2)13-17-11-9-12-18(14-17)15(3)19(20)21/h4,6,9,11-12,14-15H,2,7-8,10,13H2,1,3H3,(H,20,21)/b6-4-
InChIKeyYELLXIQFGHFLLZ-XQRVVYSFSA-N
XLogP4.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[3-[(Z)-2-ethenylideneoct-6-enyl]phenyl]propanoic acid 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

2-[3-(2,2-difluoroethyl)phenyl]propanoic acid
CID 84680241
2-[3-(3-ethylphenyl)phenyl]propanoic acid
CID 176514342
2-[3-(2,2,2-trifluoroethyl)phenyl]propanoic acid
CID 82619611
2-[3-(3,3-difluoropropyl)phenyl]propanoic acid
CID 84691838
2-[3-[(E)-pent-2-en-3-yl]phenyl]propanoic acid
CID 59987712
2-[3-[2-(1-phenylethylamino)propyl]phenyl]propanoic acid
CID 69325178
2-[3-(difluoromethyl)phenyl]propanoic acid
CID 84669259
2-[3-[(2-hydroxyethylamino)methyl]phenyl]propanoic acid;oxalic acid
CID 67389415
2-(3-prop-2-enoxyphenyl)propanoic acid
CID 156638364
3-[(1S)-1-carboxyethyl]benzoic acid
CID 71587871
2-[3-(1-aminoethyl)phenyl]acetic acid
CID 55283105
2-[3-(3-methylbutan-2-yl)phenyl]acetic acid
CID 115024785

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(Z)-2-ethenylideneoct-6-enyl]phenyl]propanoic acid?
The IUPAC name of 2-[3-[(Z)-2-ethenylideneoct-6-enyl]phenyl]propanoic acid (CID 143113792) is 2-[3-[(Z)-2-ethenylideneoct-6-enyl]phenyl]propanoic acid.
What is the SMILES notation for 2-[3-[(Z)-2-ethenylideneoct-6-enyl]phenyl]propanoic acid?
The canonical SMILES for 2-[3-[(Z)-2-ethenylideneoct-6-enyl]phenyl]propanoic acid is C=C=C(CCC/C=C\C)Cc1cccc(C(C)C(=O)O)c1.
What is the InChIKey of 2-[3-[(Z)-2-ethenylideneoct-6-enyl]phenyl]propanoic acid?
The InChIKey is YELLXIQFGHFLLZ-XQRVVYSFSA-N. The full InChI is InChI=1S/C19H24O2/c1-4-6-7-8-10-16(5-2)13-17-11-9-12-18(14-17)15(3)19(20)21/h4,6,9,11-12,14-15H,2,7-8,10,13H2,1,3H3,(H,20,21)/b6-4-.
What are the key properties of 2-[3-[(Z)-2-ethenylideneoct-6-enyl]phenyl]propanoic acid?
2-[3-[(Z)-2-ethenylideneoct-6-enyl]phenyl]propanoic acid has a molecular weight of 284.40 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(Z)-2-ethenylideneoct-6-enyl]phenyl]propanoic acid is sourced from PubChem (CID 143113792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).