tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carboxylic acid

C16H12O2 — CID 19088523

IUPACtricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)Cc1ccccc1C=C2
InChIInChI=1S/C16H12O2/c17-16(18)14-8-7-12-6-5-11-3-1-2-4-13(11)9-15(12)10-14/h1-8,10H,9H2,(H,17,18)
InChIKeyAPYZCLMILRMEJP-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.46
Rot. Bonds1

About tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carboxylic acid

tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carboxylic acid (PubChem CID 19088523) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carboxylic acid.

Molecular Properties

Compound Nametricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carboxylic acid
PubChem CID19088523
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Nametricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)Cc1ccccc1C=C2
InChIInChI=1S/C16H12O2/c17-16(18)14-8-7-12-6-5-11-3-1-2-4-13(11)9-15(12)10-14/h1-8,10H,9H2,(H,17,18)
InChIKeyAPYZCLMILRMEJP-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carboxylic 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-bromo-3H-indene-5-carboxylic acid
CID 149393764
11H-benzo[b][1]benzazepine-2-carboxylic acid
CID 71045756
1H-azepine;9H-fluorene-2-carboxylic acid
CID 174434519
9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid
CID 158991215
naphthalene-2-carboxylic acid
CID 175967775
hexacene-2-carboxylic acid
CID 87430666
benzene-1,4-diamine;naphthalene-2,6-dicarboxylic acid
CID 175159598
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene-6,15,24-tricarboxylic acid
CID 101463764
5-hydroxy-7H-benzo[g]fluorene-9-carboxylic acid
CID 66875945
1-(4-aminophenyl)-9H-fluorene-3-carboxylic acid
CID 172783159
9H-fluoren-2-yl-(4-phenylphenyl)methanone
CID 91678788

Frequently Asked Questions

What is the IUPAC name of tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carboxylic acid?
The IUPAC name of tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carboxylic acid (CID 19088523) is tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carboxylic acid.
What is the SMILES notation for tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carboxylic acid?
The canonical SMILES for tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carboxylic acid is O=C(O)c1ccc2c(c1)Cc1ccccc1C=C2.
What is the InChIKey of tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carboxylic acid?
The InChIKey is APYZCLMILRMEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2/c17-16(18)14-8-7-12-6-5-11-3-1-2-4-13(11)9-15(12)10-14/h1-8,10H,9H2,(H,17,18).
What are the key properties of tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carboxylic acid?
tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-5-carboxylic acid is sourced from PubChem (CID 19088523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).