3-phenyl-4,5,6,6a-tetrahydrocyclopenta[b]furan-2-one

C13H12O2 — CID 86097455

IUPAC3-phenyl-4,5,6,6a-tetrahydrocyclopenta[b]furan-2-one
SMILESO=C1OC2CCCC2=C1c1ccccc1
InChIInChI=1S/C13H12O2/c14-13-12(9-5-2-1-3-6-9)10-7-4-8-11(10)15-13/h1-3,5-6,11H,4,7-8H2
InChIKeyKAVUMUUNFOEUAD-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.55
Rot. Bonds1

About 3-phenyl-4,5,6,6a-tetrahydrocyclopenta[b]furan-2-one

3-phenyl-4,5,6,6a-tetrahydrocyclopenta[b]furan-2-one (PubChem CID 86097455) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-phenyl-4,5,6,6a-tetrahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name3-phenyl-4,5,6,6a-tetrahydrocyclopenta[b]furan-2-one
PubChem CID86097455
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name3-phenyl-4,5,6,6a-tetrahydrocyclopenta[b]furan-2-one
SMILESO=C1OC2CCCC2=C1c1ccccc1
InChIInChI=1S/C13H12O2/c14-13-12(9-5-2-1-3-6-9)10-7-4-8-11(10)15-13/h1-3,5-6,11H,4,7-8H2
InChIKeyKAVUMUUNFOEUAD-UHFFFAOYSA-N
XLogP2.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-phenyl-4,5,6,6a-tetrahydrocyclopenta[b]furan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S,6aR)-6-methyl-3-phenyl-6,6a-dihydro-4H-furo[3,4-b]furan-2-one
CID 102588532
(9aR)-3,9-diphenyl-4,5,6,7,8,9a-hexahydrofuro[2,3-b]azocin-2-one
CID 134960657
5-methyl-10-phenyl-1,2,3,3a-tetrahydrocyclopenta[c][1]benzazepin-4-one
CID 15063929
(2,2-diphenyl-4,5,6,6a-tetrahydrocyclopenta[d]oxasilol-3-yl)-trimethylsilane
CID 12994941
2-methoxy-3,4-diphenyl-2H-furan-5-one
CID 12691708
(4S,7S)-4,7-dihydroxy-1,3-diphenyl-4,5,6,7-tetrahydroinden-2-one
CID 132917425
(7S,7aR)-7-cyclopropyl-4,5-dimethyl-3-phenyl-4,5,7,7a-tetrahydrofuro[2,3-c]pyran-2-one
CID 11277585
2-methylidene-6-phenyloxane
CID 102035384
(6R)-2-methylidene-6-phenyloxane
CID 125486345
2,3-diphenylcyclohex-2-en-1-one
CID 2748361
(7S,7aR)-4,5,7-trimethyl-3-phenyl-4,5,7,7a-tetrahydrofuro[2,3-c]pyran-2-one
CID 11391256
1-(4-hydroxyphenyl)-3-phenyl-5,6,7,7a-tetrahydro-4H-indol-2-one
CID 21446102

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4,5,6,6a-tetrahydrocyclopenta[b]furan-2-one?
The IUPAC name of 3-phenyl-4,5,6,6a-tetrahydrocyclopenta[b]furan-2-one (CID 86097455) is 3-phenyl-4,5,6,6a-tetrahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for 3-phenyl-4,5,6,6a-tetrahydrocyclopenta[b]furan-2-one?
The canonical SMILES for 3-phenyl-4,5,6,6a-tetrahydrocyclopenta[b]furan-2-one is O=C1OC2CCCC2=C1c1ccccc1.
What is the InChIKey of 3-phenyl-4,5,6,6a-tetrahydrocyclopenta[b]furan-2-one?
The InChIKey is KAVUMUUNFOEUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c14-13-12(9-5-2-1-3-6-9)10-7-4-8-11(10)15-13/h1-3,5-6,11H,4,7-8H2.
What are the key properties of 3-phenyl-4,5,6,6a-tetrahydrocyclopenta[b]furan-2-one?
3-phenyl-4,5,6,6a-tetrahydrocyclopenta[b]furan-2-one has a molecular weight of 200.24 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4,5,6,6a-tetrahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 86097455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).