4-(4-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

C14H14O2 — CID 102469155

IUPAC4-(4-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESCc1ccc(C2=C3COCC3CC2=O)cc1
InChIInChI=1S/C14H14O2/c1-9-2-4-10(5-3-9)14-12-8-16-7-11(12)6-13(14)15/h2-5,11H,6-8H2,1H3
InChIKeyITTYFJIAEVEVOX-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.37
Rot. Bonds1

About 4-(4-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

4-(4-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (PubChem CID 102469155) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
PubChem CID102469155
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name4-(4-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESCc1ccc(C2=C3COCC3CC2=O)cc1
InChIInChI=1S/C14H14O2/c1-9-2-4-10(5-3-9)14-12-8-16-7-11(12)6-13(14)15/h2-5,11H,6-8H2,1H3
InChIKeyITTYFJIAEVEVOX-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Incrustoporin
CID 506553
(-)-Incrustoporine
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(4R,5S)-5-methyl-3-methylidene-4-(4-methylphenyl)oxolan-2-one
CID 45483932
(4R,5R)-5-methyl-3-methylidene-4-(4-methylphenyl)oxolan-2-one
CID 45483933
(3aR,9bR)-6-methyl-3-methylidene-9-phenyl-4,5,7,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,8-dione
CID 162654651
2-methyl-4-(p-tolyl)-2H-furan-5-one
CID 506531
(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
2-ethyl-4-(4-methylphenyl)-2H-uran-5-one
CID 11344698
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The IUPAC name of 4-(4-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (CID 102469155) is 4-(4-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.
What is the SMILES notation for 4-(4-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The canonical SMILES for 4-(4-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is Cc1ccc(C2=C3COCC3CC2=O)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The InChIKey is ITTYFJIAEVEVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-9-2-4-10(5-3-9)14-12-8-16-7-11(12)6-13(14)15/h2-5,11H,6-8H2,1H3.
What are the key properties of 4-(4-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
4-(4-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one has a molecular weight of 214.26 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is sourced from PubChem (CID 102469155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).