1-phenyl-1,2,4,5,6,7,8,9-octahydrocyclopenta[8]annulen-3-one

C17H20O — CID 24975573

IUPAC1-phenyl-1,2,4,5,6,7,8,9-octahydrocyclopenta[8]annulen-3-one
SMILESO=C1CC(c2ccccc2)C2=C1CCCCCC2
InChIInChI=1S/C17H20O/c18-17-12-16(13-8-4-3-5-9-13)14-10-6-1-2-7-11-15(14)17/h3-5,8-9,16H,1-2,6-7,10-12H2
InChIKeyMQRYOISKAYHLMJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.39
Rot. Bonds1

About 1-phenyl-1,2,4,5,6,7,8,9-octahydrocyclopenta[8]annulen-3-one

1-phenyl-1,2,4,5,6,7,8,9-octahydrocyclopenta[8]annulen-3-one (PubChem CID 24975573) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-phenyl-1,2,4,5,6,7,8,9-octahydrocyclopenta[8]annulen-3-one.

Molecular Properties

Compound Name1-phenyl-1,2,4,5,6,7,8,9-octahydrocyclopenta[8]annulen-3-one
PubChem CID24975573
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1-phenyl-1,2,4,5,6,7,8,9-octahydrocyclopenta[8]annulen-3-one
SMILESO=C1CC(c2ccccc2)C2=C1CCCCCC2
InChIInChI=1S/C17H20O/c18-17-12-16(13-8-4-3-5-9-13)14-10-6-1-2-7-11-15(14)17/h3-5,8-9,16H,1-2,6-7,10-12H2
InChIKeyMQRYOISKAYHLMJ-UHFFFAOYSA-N
XLogP4.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-phenyl-1,2,4,5,6,7,8,9-octahydrocyclopenta[8]annulen-3-one with MolForge

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Related Compounds

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trans-(2S,5R)-2,5-diphenylcyclohexan-1-one
CID 134846189
3-ethyl-2,3,4,5,6,7-hexahydroinden-1-one
CID 130030063
4-phenyl-3,4,5,6,7,8-hexahydro-1H-isothiochromene 2,2-dioxide
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2-methylidene-3-phenylcyclopentan-1-one
CID 24978032
(1Z)-1,2-diphenylcyclododecene
CID 5378897
6,7-diphenyl-1,2,3,4,6,7-hexahydronaphthalene
CID 14691568
2,3-diphenylcyclohex-2-en-1-one
CID 2748361
(3R)-2-benzyl-3-methoxy-4,5,6,7-tetrahydro-3H-isoindol-1-one
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6-(1,3-dioxolan-2-yl)-2-phenylcyclooctan-1-one
CID 13462752
(2-chloro-3-phenylcyclohexen-1-yl)benzene
CID 14737119

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1,2,4,5,6,7,8,9-octahydrocyclopenta[8]annulen-3-one?
The IUPAC name of 1-phenyl-1,2,4,5,6,7,8,9-octahydrocyclopenta[8]annulen-3-one (CID 24975573) is 1-phenyl-1,2,4,5,6,7,8,9-octahydrocyclopenta[8]annulen-3-one.
What is the SMILES notation for 1-phenyl-1,2,4,5,6,7,8,9-octahydrocyclopenta[8]annulen-3-one?
The canonical SMILES for 1-phenyl-1,2,4,5,6,7,8,9-octahydrocyclopenta[8]annulen-3-one is O=C1CC(c2ccccc2)C2=C1CCCCCC2.
What is the InChIKey of 1-phenyl-1,2,4,5,6,7,8,9-octahydrocyclopenta[8]annulen-3-one?
The InChIKey is MQRYOISKAYHLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c18-17-12-16(13-8-4-3-5-9-13)14-10-6-1-2-7-11-15(14)17/h3-5,8-9,16H,1-2,6-7,10-12H2.
What are the key properties of 1-phenyl-1,2,4,5,6,7,8,9-octahydrocyclopenta[8]annulen-3-one?
1-phenyl-1,2,4,5,6,7,8,9-octahydrocyclopenta[8]annulen-3-one has a molecular weight of 240.35 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1,2,4,5,6,7,8,9-octahydrocyclopenta[8]annulen-3-one is sourced from PubChem (CID 24975573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).