tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid

C16H14O2 — CID 13281341

IUPACtricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid
SMILESO=C(O)c1cccc2c1CCCc1ccccc1-2
InChIInChI=1S/C16H14O2/c17-16(18)15-10-4-9-13-12-7-2-1-5-11(12)6-3-8-14(13)15/h1-2,4-5,7,9-10H,3,6,8H2,(H,17,18)
InChIKeyRTUQMPWKCYBBPC-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.54
Rot. Bonds1

About tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid

tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid (PubChem CID 13281341) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid.

Molecular Properties

Compound Nametricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid
PubChem CID13281341
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Nametricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid
SMILESO=C(O)c1cccc2c1CCCc1ccccc1-2
InChIInChI=1S/C16H14O2/c17-16(18)15-10-4-9-13-12-7-2-1-5-11(12)6-3-8-14(13)15/h1-2,4-5,7,9-10H,3,6,8H2,(H,17,18)
InChIKeyRTUQMPWKCYBBPC-UHFFFAOYSA-N
XLogP3.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid with MolForge

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Related Compounds

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9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid
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2-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxylic acid
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9,10-dihydroanthracene-1,5-dicarboxylic acid
CID 69239993
9,10-dihydroanthracene-1-carboxylic acid
CID 22643690
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CID 23110735
N-hydroxy-2,3-dihydro-1H-indene-4-carboxamide
CID 126997874
phthalic acid;3,4,5,6-tetrahydrochrysene
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CID 15212214
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CID 87520921

Frequently Asked Questions

What is the IUPAC name of tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid?
The IUPAC name of tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid (CID 13281341) is tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid.
What is the SMILES notation for tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid?
The canonical SMILES for tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid is O=C(O)c1cccc2c1CCCc1ccccc1-2.
What is the InChIKey of tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid?
The InChIKey is RTUQMPWKCYBBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c17-16(18)15-10-4-9-13-12-7-2-1-5-11(12)6-3-8-14(13)15/h1-2,4-5,7,9-10H,3,6,8H2,(H,17,18).
What are the key properties of tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid?
tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid is sourced from PubChem (CID 13281341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).