3a-methyl-6-phenyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one

C14H14O2 — CID 11218159

IUPAC3a-methyl-6-phenyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one
SMILESCC12COCC1=C(c1ccccc1)C(=O)C2
InChIInChI=1S/C14H14O2/c1-14-7-12(15)13(11(14)8-16-9-14)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyZXXCEOAEQAWSPY-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.45
Rot. Bonds1

About 3a-methyl-6-phenyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one

3a-methyl-6-phenyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one (PubChem CID 11218159) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3a-methyl-6-phenyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one.

Molecular Properties

Compound Name3a-methyl-6-phenyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one
PubChem CID11218159
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name3a-methyl-6-phenyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one
SMILESCC12COCC1=C(c1ccccc1)C(=O)C2
InChIInChI=1S/C14H14O2/c1-14-7-12(15)13(11(14)8-16-9-14)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyZXXCEOAEQAWSPY-UHFFFAOYSA-N
XLogP2.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,9bR)-6-methyl-3-methylidene-9-phenyl-4,5,7,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,8-dione
CID 162654651
(3Z)-5-benzyl-3-(2-methylpropylidene)oxolan-2-one
CID 44400317
2,2-Difluoro-3-(4-methylideneoxolan-3-yl)-1-phenylpropan-1-one
CID 10015070
2-(4-Trifluoromethylphenyl)-7-oxabicyclo[3.3.0] oct-1-en-3-one
CID 11254166
1H-Cyclopenta[c]furan-5(3H)-one, 3a,4-dihydro-6-phenyl-
CID 10262188
4-(4-Chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 10900586
1-(2-Methyl-5-phenyl-4,5-dihydrofuran-3-yl)ethan-1-one
CID 13168909
2-(4-Methylphenyl)-7-oxabicyclo[3.3.0]oct-1-en-3-one
CID 102469155
4-(4-Fluorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 86065264
2-[3,5-Bis(trifluoromethyl)phenyl]-7-oxabicyclo [3.3.0]oct-1-en-3-one
CID 129822649
(3aS)-3-phenyl-3a-(trifluoromethyl)-3,4-dihydro-1H-cyclopenta[c]furan-5-one
CID 139250891
3-Methoxy-4-methylidene-5-phenylcyclopent-2-en-1-one
CID 10921537

Frequently Asked Questions

What is the IUPAC name of 3a-methyl-6-phenyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one?
The IUPAC name of 3a-methyl-6-phenyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one (CID 11218159) is 3a-methyl-6-phenyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one.
What is the SMILES notation for 3a-methyl-6-phenyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one?
The canonical SMILES for 3a-methyl-6-phenyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one is CC12COCC1=C(c1ccccc1)C(=O)C2.
What is the InChIKey of 3a-methyl-6-phenyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one?
The InChIKey is ZXXCEOAEQAWSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-14-7-12(15)13(11(14)8-16-9-14)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3.
What are the key properties of 3a-methyl-6-phenyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one?
3a-methyl-6-phenyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one has a molecular weight of 214.26 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-methyl-6-phenyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one is sourced from PubChem (CID 11218159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).