12-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),8,12,14-pentaen-6-one

C15H14O2 — CID 143013799

IUPAC12-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),8,12,14-pentaen-6-one
SMILESO=C1CCCC2=C1C=CCc1c(O)cccc12
InChIInChI=1S/C15H14O2/c16-14-8-2-4-10-11-5-3-9-15(17)13(11)7-1-6-12(10)14/h1-2,4,7-8,16H,3,5-6,9H2
InChIKeyZOYDLSGIVHYCAK-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.01
Rot. Bonds

About 12-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),8,12,14-pentaen-6-one

12-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),8,12,14-pentaen-6-one (PubChem CID 143013799) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 12-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),8,12,14-pentaen-6-one.

Molecular Properties

Compound Name12-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),8,12,14-pentaen-6-one
PubChem CID143013799
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name12-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),8,12,14-pentaen-6-one
SMILESO=C1CCCC2=C1C=CCc1c(O)cccc12
InChIInChI=1S/C15H14O2/c16-14-8-2-4-10-11-5-3-9-15(17)13(11)7-1-6-12(10)14/h1-2,4,7-8,16H,3,5-6,9H2
InChIKeyZOYDLSGIVHYCAK-UHFFFAOYSA-N
XLogP3.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 12-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),8,12,14-pentaen-6-one with MolForge

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Related Compounds

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CID 22341653
2H-anthracene-1,9,10-trione
CID 53433123
5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid
CID 10397638
1-(dibromomethylidene)-2H-anthracene-9,10-dione
CID 141111128
5-ethynyl-3,4-dihydro-2H-naphthalen-1-one
CID 21414823
3,4,5,6-tetrahydro-2H-naphthalen-1-one
CID 14045253
2-benzoyl-3-phenylcyclohex-2-en-1-one
CID 102055351
5-(1-sulfanylethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 142366129
5-ethyl-3,4-dihydro-2H-naphthalen-1-one
CID 589817
2,5,6,7,8,9-hexahydrofluoren-1-one
CID 141319272
2-ethyl-5-hydroxy-3,4-dihydro-2H-naphthalen-1-one
CID 24977005
(5-oxo-7,8-dihydro-6H-naphthalen-1-yl) acetate
CID 15503045

Frequently Asked Questions

What is the IUPAC name of 12-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),8,12,14-pentaen-6-one?
The IUPAC name of 12-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),8,12,14-pentaen-6-one (CID 143013799) is 12-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),8,12,14-pentaen-6-one.
What is the SMILES notation for 12-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),8,12,14-pentaen-6-one?
The canonical SMILES for 12-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),8,12,14-pentaen-6-one is O=C1CCCC2=C1C=CCc1c(O)cccc12.
What is the InChIKey of 12-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),8,12,14-pentaen-6-one?
The InChIKey is ZOYDLSGIVHYCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c16-14-8-2-4-10-11-5-3-9-15(17)13(11)7-1-6-12(10)14/h1-2,4,7-8,16H,3,5-6,9H2.
What are the key properties of 12-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),8,12,14-pentaen-6-one?
12-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),8,12,14-pentaen-6-one has a molecular weight of 226.28 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),8,12,14-pentaen-6-one is sourced from PubChem (CID 143013799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).