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

C16H14O3 — CID 44720486

IUPAC2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid
SMILESO=C(O)C1(O)c2ccccc2CCc2ccccc21
InChIInChI=1S/C16H14O3/c17-15(18)16(19)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8,19H,9-10H2,(H,17,18)
InChIKeyDVLWRLDGBVPINS-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.11
Rot. Bonds1

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

2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid (PubChem CID 44720486) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid.

Molecular Properties

Compound Name2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid
PubChem CID44720486
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid
SMILESO=C(O)C1(O)c2ccccc2CCc2ccccc21
InChIInChI=1S/C16H14O3/c17-15(18)16(19)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8,19H,9-10H2,(H,17,18)
InChIKeyDVLWRLDGBVPINS-UHFFFAOYSA-N
XLogP2.11
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid with MolForge

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Related Compounds

2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxylic acid
CID 134096624
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
1-amino-3-oxo-4,5-dihydro-2H-2-benzazepine-1-carboxylic acid
CID 139670868
1-(dimethylamino)-2,3-dihydroindene-1-carboxylic acid;hydrochloride
CID 50988473
(1S)-1-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 67733183
spiro[1,2-dihydroindene-3,3'-1H-indene]-2',2'-dicarboxylic acid
CID 67860142
1-methylsulfanyl-2,3-dihydroindene-1-carboxylic acid
CID 82235218
1-anilino-2,3-dihydroindene-1-carboxylic acid
CID 12740130
1-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 22367227
1-methyl-3,4-dihydroisothiochromene-1-carboxylic acid
CID 71385563
1-hydroxy-2,3-dihydroisoindole-1-carboxylic acid
CID 178078073
1-amino-2-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 68877054

Frequently Asked Questions

What is the IUPAC name of 2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid?
The IUPAC name of 2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid (CID 44720486) is 2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid.
What is the SMILES notation for 2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid?
The canonical SMILES for 2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid is O=C(O)C1(O)c2ccccc2CCc2ccccc21.
What is the InChIKey of 2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid?
The InChIKey is DVLWRLDGBVPINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c17-15(18)16(19)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8,19H,9-10H2,(H,17,18).
What are the key properties of 2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid?
2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 2.11, 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),3,5,7,11,13-hexaene-2-carboxylic acid is sourced from PubChem (CID 44720486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).