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

C17H14O3 — CID 12740030

IUPAC2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetic acid
SMILESO=C(O)Cc1ccc2c(c1)C(=O)Cc1ccccc1C2
InChIInChI=1S/C17H14O3/c18-16-10-13-4-2-1-3-12(13)9-14-6-5-11(7-15(14)16)8-17(19)20/h1-7H,8-10H2,(H,19,20)
InChIKeyQEXYVAOYPKHVJP-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.64
Rot. Bonds2

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

2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetic acid (PubChem CID 12740030) has the molecular formula C17H14O3 and a molecular weight of 266.30 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)acetic acid.

Molecular Properties

Compound Name2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetic acid
PubChem CID12740030
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetic acid
SMILESO=C(O)Cc1ccc2c(c1)C(=O)Cc1ccccc1C2
InChIInChI=1S/C17H14O3/c18-16-10-13-4-2-1-3-12(13)9-14-6-5-11(7-15(14)16)8-17(19)20/h1-7H,8-10H2,(H,19,20)
InChIKeyQEXYVAOYPKHVJP-UHFFFAOYSA-N
XLogP2.64
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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)acetic 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)acetic acid (CID 12740030) is 2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetic 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)acetic 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)acetic acid is O=C(O)Cc1ccc2c(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)acetic acid?
The InChIKey is QEXYVAOYPKHVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c18-16-10-13-4-2-1-3-12(13)9-14-6-5-11(7-15(14)16)8-17(19)20/h1-7H,8-10H2,(H,19,20).
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)acetic acid?
2-(9-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetic acid has a molecular weight of 266.30 g/mol, XLogP of 2.64, 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)acetic acid is sourced from PubChem (CID 12740030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).