5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,10,13-hexaen-2-one

C16H14O2 — CID 54197355

IUPAC5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,10,13-hexaen-2-one
SMILESCOc1ccc2c(c1)C(=O)C1=CC=CCC1=CC2
InChIInChI=1S/C16H14O2/c1-18-13-9-8-12-7-6-11-4-2-3-5-14(11)16(17)15(12)10-13/h2-3,5-6,8-10H,4,7H2,1H3
InChIKeyPMTZDMNBZPUYKH-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.25
Rot. Bonds1

About 5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,10,13-hexaen-2-one

5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,10,13-hexaen-2-one (PubChem CID 54197355) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,10,13-hexaen-2-one.

Molecular Properties

Compound Name5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,10,13-hexaen-2-one
PubChem CID54197355
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,10,13-hexaen-2-one
SMILESCOc1ccc2c(c1)C(=O)C1=CC=CCC1=CC2
InChIInChI=1S/C16H14O2/c1-18-13-9-8-12-7-6-11-4-2-3-5-14(11)16(17)15(12)10-13/h2-3,5-6,8-10H,4,7H2,1H3
InChIKeyPMTZDMNBZPUYKH-UHFFFAOYSA-N
XLogP3.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,10,13-hexaen-2-one with MolForge

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Related Compounds

3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
ethane;5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 90841573
6-methoxy-2-(2-methoxyphenyl)-1,4-dihydronaphthalene
CID 57252898
7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 18918770
4-(4-methoxy-2-methylphenyl)cyclohex-3-en-1-one
CID 83261958
sodium (Z)-(5-methoxy-3-oxo-1H-inden-2-ylidene)methanolate
CID 75356207
1,2,3,4,7-pentamethoxy-10H-anthracen-9-one
CID 141406927
6-methoxy-1H-indene
CID 22155588
5-(6-methoxy-3H-inden-1-yl)pentan-2-one
CID 158347332
ethane;2-(5-methoxy-3H-inden-1-yl)acetic acid
CID 142209991
2-(3,4-dimethoxyphenyl)-6-methoxy-1,4-dihydronaphthalene
CID 57256243
6-methoxy-3,3-dimethyl-1H-isothiochromen-4-one
CID 82888811

Frequently Asked Questions

What is the IUPAC name of 5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,10,13-hexaen-2-one?
The IUPAC name of 5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,10,13-hexaen-2-one (CID 54197355) is 5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,10,13-hexaen-2-one.
What is the SMILES notation for 5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,10,13-hexaen-2-one?
The canonical SMILES for 5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,10,13-hexaen-2-one is COc1ccc2c(c1)C(=O)C1=CC=CCC1=CC2.
What is the InChIKey of 5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,10,13-hexaen-2-one?
The InChIKey is PMTZDMNBZPUYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-18-13-9-8-12-7-6-11-4-2-3-5-14(11)16(17)15(12)10-13/h2-3,5-6,8-10H,4,7H2,1H3.
What are the key properties of 5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,10,13-hexaen-2-one?
5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,10,13-hexaen-2-one has a molecular weight of 238.29 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,10,13-hexaen-2-one is sourced from PubChem (CID 54197355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).