14-acetyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6-carboxylic acid

C18H14O4 — CID 12563000

IUPAC14-acetyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6-carboxylic acid
SMILESCC(=O)c1ccc2c(c1)C(=O)c1ccc(C(=O)O)cc1CC2
InChIInChI=1S/C18H14O4/c1-10(19)12-4-2-11-3-5-13-8-14(18(21)22)6-7-15(13)17(20)16(11)9-12/h2,4,6-9H,3,5H2,1H3,(H,21,22)
InChIKeyUHCXEJMVDDGVEZ-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.92
Rot. Bonds2

About 14-acetyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6-carboxylic acid

14-acetyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6-carboxylic acid (PubChem CID 12563000) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 14-acetyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6-carboxylic acid.

Molecular Properties

Compound Name14-acetyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6-carboxylic acid
PubChem CID12563000
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name14-acetyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6-carboxylic acid
SMILESCC(=O)c1ccc2c(c1)C(=O)c1ccc(C(=O)O)cc1CC2
InChIInChI=1S/C18H14O4/c1-10(19)12-4-2-11-3-5-13-8-14(18(21)22)6-7-15(13)17(20)16(11)9-12/h2,4,6-9H,3,5H2,1H3,(H,21,22)
InChIKeyUHCXEJMVDDGVEZ-UHFFFAOYSA-N
XLogP2.92
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 14-acetyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6-carboxylic acid with MolForge

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Related Compounds

14-cyano-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-5-carboxylic acid
CID 12525900
7-acetyl-3,4-dihydro-2H-naphthalen-1-one
CID 54195655
6-acetyl-3,4-dihydro-2H-naphthalen-1-one
CID 54156435
(7E)-7-[(4-methylphenyl)methylidene]-8-oxo-5,6-dihydronaphthalene-2-carboxylic acid
CID 163214099
methyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate
CID 18998711
7-[(4-ethylphenyl)methylidene]-8-oxo-5,6-dihydronaphthalene-2-carboxylic acid
CID 175422917
6-amino-9,10-dioxoanthracene-2-carboxylic acid
CID 154137523
7-[(4-chlorophenyl)methylidene]-8-oxo-5,6-dihydronaphthalene-2-carboxylic acid
CID 175422904
ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 123573357
lithium;9,10-dioxoanthracene-2-carboxylic acid;hydride
CID 174801705
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
9,10-dioxoanthracene-2-carboxylic acid;gold
CID 175791261

Frequently Asked Questions

What is the IUPAC name of 14-acetyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6-carboxylic acid?
The IUPAC name of 14-acetyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6-carboxylic acid (CID 12563000) is 14-acetyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6-carboxylic acid.
What is the SMILES notation for 14-acetyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6-carboxylic acid?
The canonical SMILES for 14-acetyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6-carboxylic acid is CC(=O)c1ccc2c(c1)C(=O)c1ccc(C(=O)O)cc1CC2.
What is the InChIKey of 14-acetyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6-carboxylic acid?
The InChIKey is UHCXEJMVDDGVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-10(19)12-4-2-11-3-5-13-8-14(18(21)22)6-7-15(13)17(20)16(11)9-12/h2,4,6-9H,3,5H2,1H3,(H,21,22).
What are the key properties of 14-acetyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6-carboxylic acid?
14-acetyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-acetyl-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6-carboxylic acid is sourced from PubChem (CID 12563000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).