2-[4-(naphthalene-2-carbonyl)phenyl]pent-4-enoic acid

C22H18O3 — CID 21391762

IUPAC2-[4-(naphthalene-2-carbonyl)phenyl]pent-4-enoic acid
SMILESC=CCC(C(=O)O)c1ccc(C(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H18O3/c1-2-5-20(22(24)25)16-9-11-17(12-10-16)21(23)19-13-8-15-6-3-4-7-18(15)14-19/h2-4,6-14,20H,1,5H2,(H,24,25)
InChIKeyALOHALJJOFPLDO-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.82
Rot. Bonds6

About 2-[4-(naphthalene-2-carbonyl)phenyl]pent-4-enoic acid

2-[4-(naphthalene-2-carbonyl)phenyl]pent-4-enoic acid (PubChem CID 21391762) has the molecular formula C22H18O3 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[4-(naphthalene-2-carbonyl)phenyl]pent-4-enoic acid.

Molecular Properties

Compound Name2-[4-(naphthalene-2-carbonyl)phenyl]pent-4-enoic acid
PubChem CID21391762
Molecular FormulaC22H18O3
Molecular Weight330.38 g/mol
Exact Mass330.13
IUPAC Name2-[4-(naphthalene-2-carbonyl)phenyl]pent-4-enoic acid
SMILESC=CCC(C(=O)O)c1ccc(C(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H18O3/c1-2-5-20(22(24)25)16-9-11-17(12-10-16)21(23)19-13-8-15-6-3-4-7-18(15)14-19/h2-4,6-14,20H,1,5H2,(H,24,25)
InChIKeyALOHALJJOFPLDO-UHFFFAOYSA-N
XLogP4.82
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-(naphthalene-2-carbonyl)phenyl]pent-4-enoic 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-[4-(pyridine-3-carbonyl)phenyl]pent-4-enoic acid
CID 21391771
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
(2R)-2-(4-methoxyphenyl)pent-4-enoic acid
CID 124577541
dinaphthalen-2-ylmethanone
CID 10945915
(2S)-2-(4-chlorophenyl)pent-4-enoic acid
CID 11447156
2-naphthalen-2-ylbutanoic acid
CID 27266
2-(4-benzoylphenyl)butanoic acid
CID 22621594
2-phenylethyl (2R)-2-naphthalen-2-ylpent-4-enoate
CID 101472479
4,6-diphenylnona-1,8-dien-5-one
CID 69419927
1-naphthalen-2-yl-2,4-diphenylbutane-1,4-dione
CID 102389148
2-naphthalen-2-yl-N'-propan-2-ylpent-4-enehydrazide
CID 165339340
3-phenylhexa-1,5-dien-2-ol
CID 173444348

Frequently Asked Questions

What is the IUPAC name of 2-[4-(naphthalene-2-carbonyl)phenyl]pent-4-enoic acid?
The IUPAC name of 2-[4-(naphthalene-2-carbonyl)phenyl]pent-4-enoic acid (CID 21391762) is 2-[4-(naphthalene-2-carbonyl)phenyl]pent-4-enoic acid.
What is the SMILES notation for 2-[4-(naphthalene-2-carbonyl)phenyl]pent-4-enoic acid?
The canonical SMILES for 2-[4-(naphthalene-2-carbonyl)phenyl]pent-4-enoic acid is C=CCC(C(=O)O)c1ccc(C(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[4-(naphthalene-2-carbonyl)phenyl]pent-4-enoic acid?
The InChIKey is ALOHALJJOFPLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O3/c1-2-5-20(22(24)25)16-9-11-17(12-10-16)21(23)19-13-8-15-6-3-4-7-18(15)14-19/h2-4,6-14,20H,1,5H2,(H,24,25).
What are the key properties of 2-[4-(naphthalene-2-carbonyl)phenyl]pent-4-enoic acid?
2-[4-(naphthalene-2-carbonyl)phenyl]pent-4-enoic acid has a molecular weight of 330.38 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(naphthalene-2-carbonyl)phenyl]pent-4-enoic acid is sourced from PubChem (CID 21391762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).