4-anthracen-9-ylpent-4-enoic acid

C19H16O2 — CID 102308391

IUPAC4-anthracen-9-ylpent-4-enoic acid
SMILESC=C(CCC(=O)O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H16O2/c1-13(10-11-18(20)21)19-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19/h2-9,12H,1,10-11H2,(H,20,21)
InChIKeyBQTHPVDODMNDIQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.87
Rot. Bonds4

About 4-anthracen-9-ylpent-4-enoic acid

4-anthracen-9-ylpent-4-enoic acid (PubChem CID 102308391) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-anthracen-9-ylpent-4-enoic acid.

Molecular Properties

Compound Name4-anthracen-9-ylpent-4-enoic acid
PubChem CID102308391
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name4-anthracen-9-ylpent-4-enoic acid
SMILESC=C(CCC(=O)O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H16O2/c1-13(10-11-18(20)21)19-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19/h2-9,12H,1,10-11H2,(H,20,21)
InChIKeyBQTHPVDODMNDIQ-UHFFFAOYSA-N
XLogP4.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(anthracen-9-ylmethyl)prop-2-enoic acid
CID 23497988
4-phenylpent-4-enoic acid;phosphenous acid
CID 175528610
1-anthracen-9-yl-4-bromobutan-1-one
CID 146005094
anthracene-9-carboxylic acid;trichloro(ethyl)silane
CID 87654089
(2-anthracen-9-yl-2-oxoethyl) 2-methylprop-2-enoate
CID 158316032
1-anthracen-9-ylhexadecan-1-one
CID 134887627
heptanedioic acid;naphthalene-1,2-dicarboxylic acid
CID 70413423
propan-2-yl anthracene-9-carboxylate
CID 12646743
naphthalene-1,2,3-tricarboxylic acid;titanium
CID 158850397
1-anthracen-9-yl-5,5-dimethylhexan-1-one
CID 164816525
7-oxo-7-phenanthren-9-ylheptanoic acid
CID 24726938
phenacyl anthracene-9-carboxylate
CID 3297262

Frequently Asked Questions

What is the IUPAC name of 4-anthracen-9-ylpent-4-enoic acid?
The IUPAC name of 4-anthracen-9-ylpent-4-enoic acid (CID 102308391) is 4-anthracen-9-ylpent-4-enoic acid.
What is the SMILES notation for 4-anthracen-9-ylpent-4-enoic acid?
The canonical SMILES for 4-anthracen-9-ylpent-4-enoic acid is C=C(CCC(=O)O)c1c2ccccc2cc2ccccc12.
What is the InChIKey of 4-anthracen-9-ylpent-4-enoic acid?
The InChIKey is BQTHPVDODMNDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-13(10-11-18(20)21)19-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19/h2-9,12H,1,10-11H2,(H,20,21).
What are the key properties of 4-anthracen-9-ylpent-4-enoic acid?
4-anthracen-9-ylpent-4-enoic acid has a molecular weight of 276.34 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anthracen-9-ylpent-4-enoic acid is sourced from PubChem (CID 102308391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).