4-(2-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

C14H14O2 — CID 135039284

IUPAC4-(2-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESCc1ccccc1C1=C2COCC2CC1=O
InChIInChI=1S/C14H14O2/c1-9-4-2-3-5-11(9)14-12-8-16-7-10(12)6-13(14)15/h2-5,10H,6-8H2,1H3
InChIKeyIZAGDRUAUKQFII-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.37
Rot. Bonds1

About 4-(2-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

4-(2-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (PubChem CID 135039284) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-(2-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.

Molecular Properties

Compound Name4-(2-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
PubChem CID135039284
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name4-(2-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESCc1ccccc1C1=C2COCC2CC1=O
InChIInChI=1S/C14H14O2/c1-9-4-2-3-5-11(9)14-12-8-16-7-10(12)6-13(14)15/h2-5,10H,6-8H2,1H3
InChIKeyIZAGDRUAUKQFII-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

(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
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
(3R,3aR,7aR)-3-[1-(2-fluorophenyl)ethenyl]-7a-methyl-2,3,3a,4-tetrahydro-1-benzofuran-5-one
CID 138980223
[(5R,6R,6aR)-6-(4-fluorophenyl)-3,3-dimethyl-1,5,6,6a-tetrahydrocyclopenta[c]furan-5-yl]-phenylmethanone
CID 154715211
3-Methoxy-4-methylidene-5-phenylcyclopent-2-en-1-one
CID 10921537

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The IUPAC name of 4-(2-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (CID 135039284) is 4-(2-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.
What is the SMILES notation for 4-(2-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The canonical SMILES for 4-(2-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is Cc1ccccc1C1=C2COCC2CC1=O.
What is the InChIKey of 4-(2-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The InChIKey is IZAGDRUAUKQFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-9-4-2-3-5-11(9)14-12-8-16-7-10(12)6-13(14)15/h2-5,10H,6-8H2,1H3.
What are the key properties of 4-(2-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
4-(2-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-(2-methylphenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is sourced from PubChem (CID 135039284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).