8-hydroxy-4,7,7-trimethyl-6,8-dihydro-3H-cyclopenta[g][2]benzofuran-1-one

C14H16O3 — CID 76524610

IUPAC8-hydroxy-4,7,7-trimethyl-6,8-dihydro-3H-cyclopenta[g][2]benzofuran-1-one
SMILESCc1cc2c(c3c1COC3=O)C(O)C(C)(C)C2
InChIInChI=1S/C14H16O3/c1-7-4-8-5-14(2,3)12(15)10(8)11-9(7)6-17-13(11)16/h4,12,15H,5-6H2,1-3H3
InChIKeyXNNQVYSVPFCXGD-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.28
Rot. Bonds

About 8-hydroxy-4,7,7-trimethyl-6,8-dihydro-3H-cyclopenta[g][2]benzofuran-1-one

8-hydroxy-4,7,7-trimethyl-6,8-dihydro-3H-cyclopenta[g][2]benzofuran-1-one (PubChem CID 76524610) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 8-hydroxy-4,7,7-trimethyl-6,8-dihydro-3H-cyclopenta[g][2]benzofuran-1-one.

Molecular Properties

Compound Name8-hydroxy-4,7,7-trimethyl-6,8-dihydro-3H-cyclopenta[g][2]benzofuran-1-one
PubChem CID76524610
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name8-hydroxy-4,7,7-trimethyl-6,8-dihydro-3H-cyclopenta[g][2]benzofuran-1-one
SMILESCc1cc2c(c3c1COC3=O)C(O)C(C)(C)C2
InChIInChI=1S/C14H16O3/c1-7-4-8-5-14(2,3)12(15)10(8)11-9(7)6-17-13(11)16/h4,12,15H,5-6H2,1-3H3
InChIKeyXNNQVYSVPFCXGD-UHFFFAOYSA-N
XLogP2.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-4,7,7-trimethyl-6,8-dihydro-3H-cyclopenta[g][2]benzofuran-1-one?
The IUPAC name of 8-hydroxy-4,7,7-trimethyl-6,8-dihydro-3H-cyclopenta[g][2]benzofuran-1-one (CID 76524610) is 8-hydroxy-4,7,7-trimethyl-6,8-dihydro-3H-cyclopenta[g][2]benzofuran-1-one.
What is the SMILES notation for 8-hydroxy-4,7,7-trimethyl-6,8-dihydro-3H-cyclopenta[g][2]benzofuran-1-one?
The canonical SMILES for 8-hydroxy-4,7,7-trimethyl-6,8-dihydro-3H-cyclopenta[g][2]benzofuran-1-one is Cc1cc2c(c3c1COC3=O)C(O)C(C)(C)C2.
What is the InChIKey of 8-hydroxy-4,7,7-trimethyl-6,8-dihydro-3H-cyclopenta[g][2]benzofuran-1-one?
The InChIKey is XNNQVYSVPFCXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-7-4-8-5-14(2,3)12(15)10(8)11-9(7)6-17-13(11)16/h4,12,15H,5-6H2,1-3H3.
What are the key properties of 8-hydroxy-4,7,7-trimethyl-6,8-dihydro-3H-cyclopenta[g][2]benzofuran-1-one?
8-hydroxy-4,7,7-trimethyl-6,8-dihydro-3H-cyclopenta[g][2]benzofuran-1-one has a molecular weight of 232.28 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-4,7,7-trimethyl-6,8-dihydro-3H-cyclopenta[g][2]benzofuran-1-one is sourced from PubChem (CID 76524610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).