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

C10H12O2 — CID 140983016

IUPAC7-methoxy-2,3,4,5-tetrahydroinden-1-one
SMILESCOC1=CCCC2=C1C(=O)CC2
InChIInChI=1S/C10H12O2/c1-12-9-4-2-3-7-5-6-8(11)10(7)9/h4H,2-3,5-6H2,1H3
InChIKeyJAZDSWLDMGIZGI-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.97
Rot. Bonds1

About 7-methoxy-2,3,4,5-tetrahydroinden-1-one

7-methoxy-2,3,4,5-tetrahydroinden-1-one (PubChem CID 140983016) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 7-methoxy-2,3,4,5-tetrahydroinden-1-one.

Molecular Properties

Compound Name7-methoxy-2,3,4,5-tetrahydroinden-1-one
PubChem CID140983016
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name7-methoxy-2,3,4,5-tetrahydroinden-1-one
SMILESCOC1=CCCC2=C1C(=O)CC2
InChIInChI=1S/C10H12O2/c1-12-9-4-2-3-7-5-6-8(11)10(7)9/h4H,2-3,5-6H2,1H3
InChIKeyJAZDSWLDMGIZGI-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-bromo-5,5-difluoro-7-methoxy-3,4-dihydro-2H-inden-1-one
CID 69350923
5,5-Difluoro-7-methoxy-2,2-dimethyl-3,4-dihydroinden-1-one
CID 69350958
5-Fluoro-6-methoxy-2,3,4,5-tetrahydroinden-1-one
CID 140987151
(2R)-2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one
CID 16220370
2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one
CID 102385261
2-(Cyclohexen-1-yl)-4-methoxy-4-methylcyclopent-2-en-1-one
CID 139248711
((E)-3-oxo-4,5,6,7-tetrahydro-2-benzofuran-1(3H)-ylidene)acetic Acid Methyl Ester
CID 66966450
Methyl 2-(3-oxo-4,5,6,7-tetrahydro-2-benzofuran-1-ylidene)acetate
CID 66966451
2,3-Dibutyl-4-methoxycyclohexa-2,4-dien-1-one
CID 67345072
1H-cyclopenta[c]pyran-5,7-dione
CID 68799013
methyl (2Z)-2-(3-oxo-4,5,6,7-tetrahydro-2-benzofuran-1-ylidene)acetate
CID 87217754
3,5-dihydro-2H-cyclopenta[g]chromen-4-one
CID 88206718

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,3,4,5-tetrahydroinden-1-one?
The IUPAC name of 7-methoxy-2,3,4,5-tetrahydroinden-1-one (CID 140983016) is 7-methoxy-2,3,4,5-tetrahydroinden-1-one.
What is the SMILES notation for 7-methoxy-2,3,4,5-tetrahydroinden-1-one?
The canonical SMILES for 7-methoxy-2,3,4,5-tetrahydroinden-1-one is COC1=CCCC2=C1C(=O)CC2.
What is the InChIKey of 7-methoxy-2,3,4,5-tetrahydroinden-1-one?
The InChIKey is JAZDSWLDMGIZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-12-9-4-2-3-7-5-6-8(11)10(7)9/h4H,2-3,5-6H2,1H3.
What are the key properties of 7-methoxy-2,3,4,5-tetrahydroinden-1-one?
7-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 7-methoxy-2,3,4,5-tetrahydroinden-1-one is sourced from PubChem (CID 140983016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).