4-methoxy-2,3,4,5-tetrahydroinden-1-one

C10H12O2 — CID 141174086

IUPAC4-methoxy-2,3,4,5-tetrahydroinden-1-one
SMILESCOC1CC=CC2=C1CCC2=O
InChIInChI=1S/C10H12O2/c1-12-10-4-2-3-7-8(10)5-6-9(7)11/h2-3,10H,4-6H2,1H3
InChIKeyFFLFRUCCWYZQGP-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.62
Rot. Bonds1

About 4-methoxy-2,3,4,5-tetrahydroinden-1-one

4-methoxy-2,3,4,5-tetrahydroinden-1-one (PubChem CID 141174086) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 4-methoxy-2,3,4,5-tetrahydroinden-1-one.

Molecular Properties

Compound Name4-methoxy-2,3,4,5-tetrahydroinden-1-one
PubChem CID141174086
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name4-methoxy-2,3,4,5-tetrahydroinden-1-one
SMILESCOC1CC=CC2=C1CCC2=O
InChIInChI=1S/C10H12O2/c1-12-10-4-2-3-7-8(10)5-6-9(7)11/h2-3,10H,4-6H2,1H3
InChIKeyFFLFRUCCWYZQGP-UHFFFAOYSA-N
XLogP1.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3,4,5-tetrahydroinden-1-one?
The IUPAC name of 4-methoxy-2,3,4,5-tetrahydroinden-1-one (CID 141174086) is 4-methoxy-2,3,4,5-tetrahydroinden-1-one.
What is the SMILES notation for 4-methoxy-2,3,4,5-tetrahydroinden-1-one?
The canonical SMILES for 4-methoxy-2,3,4,5-tetrahydroinden-1-one is COC1CC=CC2=C1CCC2=O.
What is the InChIKey of 4-methoxy-2,3,4,5-tetrahydroinden-1-one?
The InChIKey is FFLFRUCCWYZQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-12-10-4-2-3-7-8(10)5-6-9(7)11/h2-3,10H,4-6H2,1H3.
What are the key properties of 4-methoxy-2,3,4,5-tetrahydroinden-1-one?
4-methoxy-2,3,4,5-tetrahydroinden-1-one has a molecular weight of 164.20 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3,4,5-tetrahydroinden-1-one is sourced from PubChem (CID 141174086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).