2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxylic acid

C16H12O3 — CID 134096624

IUPAC2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxylic acid
SMILESO=C(O)C1(O)c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C16H12O3/c17-15(18)16(19)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-10,19H,(H,17,18)
InChIKeyWOJCFNNJGGLYED-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.49
Rot. Bonds1

About 2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxylic acid

2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxylic acid (PubChem CID 134096624) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxylic acid.

Molecular Properties

Compound Name2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxylic acid
PubChem CID134096624
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxylic acid
SMILESO=C(O)C1(O)c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C16H12O3/c17-15(18)16(19)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-10,19H,(H,17,18)
InChIKeyWOJCFNNJGGLYED-UHFFFAOYSA-N
XLogP2.49
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-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-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid
CID 44720486
[2-(hydroxymethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]methanol
CID 18626557
2-[2-[2-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
CID 134854080
2-ethynyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
CID 10561550
N,2-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
CID 154303446
N-benzyl-3-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)prop-2-ynamide
CID 10248276
2-(1-methoxyinden-1-yl)acetic acid
CID 13445754
1-phenyl-2H-naphthalene-1-carbaldehyde
CID 87494055
[1-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-2-iodoethyl] acetate
CID 10047738
(1S)-1-fluoro-1-phenylnaphthalen-2-one
CID 155930456
1-aminoisoindole-1-carboxylic acid
CID 123660879
1-phenylisochromen-1-ol
CID 134891978

Frequently Asked Questions

What is the IUPAC name of 2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxylic acid?
The IUPAC name of 2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxylic acid (CID 134096624) is 2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxylic acid.
What is the SMILES notation for 2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxylic acid?
The canonical SMILES for 2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxylic acid is O=C(O)C1(O)c2ccccc2C=Cc2ccccc21.
What is the InChIKey of 2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxylic acid?
The InChIKey is WOJCFNNJGGLYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c17-15(18)16(19)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-10,19H,(H,17,18).
What are the key properties of 2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxylic acid?
2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxylic acid is sourced from PubChem (CID 134096624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).