2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propanoic acid

C18H16O3 — CID 12740035

IUPAC2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc2c(c1)C(=O)Cc1ccccc1C2
InChIInChI=1S/C18H16O3/c1-11(18(20)21)12-6-7-15-8-13-4-2-3-5-14(13)10-17(19)16(15)9-12/h2-7,9,11H,8,10H2,1H3,(H,20,21)
InChIKeyFFTAUWINJJEJFK-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.20
Rot. Bonds2

About 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propanoic acid

2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propanoic acid (PubChem CID 12740035) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propanoic acid.

Molecular Properties

Compound Name2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propanoic acid
PubChem CID12740035
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc2c(c1)C(=O)Cc1ccccc1C2
InChIInChI=1S/C18H16O3/c1-11(18(20)21)12-6-7-15-8-13-4-2-3-5-14(13)10-17(19)16(15)9-12/h2-7,9,11H,8,10H2,1H3,(H,20,21)
InChIKeyFFTAUWINJJEJFK-UHFFFAOYSA-N
XLogP3.20
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)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

Ketoprofen
CID 3825
Bexarotene
CID 82146
Fenbufen
CID 3335
Dexketoprofen
CID 667550
Arotinoid acid
CID 5289501
Pelubiprofen
CID 5282203
3,4-Dimethylbenzoic acid
CID 12073
Vedaprofen
CID 72158
Bms-181156
CID 445576
(3-Benzoylphenyl)acetic acid
CID 30931
4-(1-Naphthyl)-4-oxobutanoic acid
CID 277786
AC55649
CID 1714884

Frequently Asked Questions

What is the IUPAC name of 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propanoic acid?
The IUPAC name of 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propanoic acid (CID 12740035) is 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propanoic acid.
What is the SMILES notation for 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propanoic acid?
The canonical SMILES for 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propanoic acid is CC(C(=O)O)c1ccc2c(c1)C(=O)Cc1ccccc1C2.
What is the InChIKey of 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propanoic acid?
The InChIKey is FFTAUWINJJEJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-11(18(20)21)12-6-7-15-8-13-4-2-3-5-14(13)10-17(19)16(15)9-12/h2-7,9,11H,8,10H2,1H3,(H,20,21).
What are the key properties of 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propanoic acid?
2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propanoic acid has a molecular weight of 280.32 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propanoic acid is sourced from PubChem (CID 12740035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).