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

C10H12O2 — CID 140987148

IUPAC6-methoxy-2,3,4,5-tetrahydroinden-1-one
SMILESCOC1=CC2=C(CCC2=O)CC1
InChIInChI=1S/C10H12O2/c1-12-8-4-2-7-3-5-10(11)9(7)6-8/h6H,2-5H2,1H3
InChIKeyRKRXITRIMOZRNY-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.97
Rot. Bonds1

About 6-methoxy-2,3,4,5-tetrahydroinden-1-one

6-methoxy-2,3,4,5-tetrahydroinden-1-one (PubChem CID 140987148) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 6-methoxy-2,3,4,5-tetrahydroinden-1-one.

Molecular Properties

Compound Name6-methoxy-2,3,4,5-tetrahydroinden-1-one
PubChem CID140987148
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name6-methoxy-2,3,4,5-tetrahydroinden-1-one
SMILESCOC1=CC2=C(CCC2=O)CC1
InChIInChI=1S/C10H12O2/c1-12-8-4-2-7-3-5-10(11)9(7)6-8/h6H,2-5H2,1H3
InChIKeyRKRXITRIMOZRNY-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4a,5,6-Tetrahydro-7-methoxy-2(3H)-naphthalenone
CID 12229722
5-Fluoro-6-methoxy-2,3,4,5-tetrahydroinden-1-one
CID 140987151
2-Cyclohexen-1-one, 3-methoxy-2-(2-propenyl)-
CID 10986611
3-Methoxy-2-(3-methylbut-2-enyl)cyclohex-2-en-1-one
CID 12003839
1,3,5,6-Tetrahydroxanthone
CID 129715045
1-(2-Methoxycyclohexen-1-yl)ethanone
CID 130032037
2-Methyl-5,6,7,8-tetrahydro-4H-chromen-4-one
CID 596062
3-Methoxy-2-(2-methylprop-2-enyl)cyclopent-2-en-1-one
CID 14399520
6-methoxy-3,4,5,8-tetrahydro-2H-naphthalen-1-one
CID 11805303
2-ethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one
CID 14950473
Cyclohexen-1-yl-(4-methoxycyclohexa-1,3-dien-1-yl)methanone
CID 17785148
3-Methoxy-2,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 18007186

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,3,4,5-tetrahydroinden-1-one?
The IUPAC name of 6-methoxy-2,3,4,5-tetrahydroinden-1-one (CID 140987148) is 6-methoxy-2,3,4,5-tetrahydroinden-1-one.
What is the SMILES notation for 6-methoxy-2,3,4,5-tetrahydroinden-1-one?
The canonical SMILES for 6-methoxy-2,3,4,5-tetrahydroinden-1-one is COC1=CC2=C(CCC2=O)CC1.
What is the InChIKey of 6-methoxy-2,3,4,5-tetrahydroinden-1-one?
The InChIKey is RKRXITRIMOZRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-12-8-4-2-7-3-5-10(11)9(7)6-8/h6H,2-5H2,1H3.
What are the key properties of 6-methoxy-2,3,4,5-tetrahydroinden-1-one?
6-methoxy-2,3,4,5-tetrahydroinden-1-one has a molecular weight of 164.20 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,3,4,5-tetrahydroinden-1-one is sourced from PubChem (CID 140987148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).