6-hydroxy-3,4a,5,9-tetramethyl-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-2-one

C16H20O3 — CID 70240472

IUPAC6-hydroxy-3,4a,5,9-tetramethyl-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-2-one
SMILESCC1=C2CC3(C)C(=CCC(O)C3C)C(C)=C2OC1=O
InChIInChI=1S/C16H20O3/c1-8-11-7-16(4)10(3)13(17)6-5-12(16)9(2)14(11)19-15(8)18/h5,10,13,17H,6-7H2,1-4H3
InChIKeyMOQPBOKELXCKON-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.87
Rot. Bonds

About 6-hydroxy-3,4a,5,9-tetramethyl-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-2-one

6-hydroxy-3,4a,5,9-tetramethyl-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-2-one (PubChem CID 70240472) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 6-hydroxy-3,4a,5,9-tetramethyl-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-2-one.

Molecular Properties

Compound Name6-hydroxy-3,4a,5,9-tetramethyl-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-2-one
PubChem CID70240472
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name6-hydroxy-3,4a,5,9-tetramethyl-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-2-one
SMILESCC1=C2CC3(C)C(=CCC(O)C3C)C(C)=C2OC1=O
InChIInChI=1S/C16H20O3/c1-8-11-7-16(4)10(3)13(17)6-5-12(16)9(2)14(11)19-15(8)18/h5,10,13,17H,6-7H2,1-4H3
InChIKeyMOQPBOKELXCKON-UHFFFAOYSA-N
XLogP2.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3,4a,5,9-tetramethyl-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-2-one?
The IUPAC name of 6-hydroxy-3,4a,5,9-tetramethyl-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-2-one (CID 70240472) is 6-hydroxy-3,4a,5,9-tetramethyl-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-2-one.
What is the SMILES notation for 6-hydroxy-3,4a,5,9-tetramethyl-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-2-one?
The canonical SMILES for 6-hydroxy-3,4a,5,9-tetramethyl-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-2-one is CC1=C2CC3(C)C(=CCC(O)C3C)C(C)=C2OC1=O.
What is the InChIKey of 6-hydroxy-3,4a,5,9-tetramethyl-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-2-one?
The InChIKey is MOQPBOKELXCKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-8-11-7-16(4)10(3)13(17)6-5-12(16)9(2)14(11)19-15(8)18/h5,10,13,17H,6-7H2,1-4H3.
What are the key properties of 6-hydroxy-3,4a,5,9-tetramethyl-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-2-one?
6-hydroxy-3,4a,5,9-tetramethyl-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-2-one has a molecular weight of 260.33 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3,4a,5,9-tetramethyl-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-2-one is sourced from PubChem (CID 70240472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).