5-methoxy-2,3,6,7-tetrahydroinden-1-one

C10H12O2 — CID 163710252

IUPAC5-methoxy-2,3,6,7-tetrahydroinden-1-one
SMILESCOC1=CC2=C(CC1)C(=O)CC2
InChIInChI=1S/C10H12O2/c1-12-8-3-4-9-7(6-8)2-5-10(9)11/h6H,2-5H2,1H3
InChIKeyKIPDGZMXKZECSC-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.97
Rot. Bonds1

About 5-methoxy-2,3,6,7-tetrahydroinden-1-one

5-methoxy-2,3,6,7-tetrahydroinden-1-one (PubChem CID 163710252) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 5-methoxy-2,3,6,7-tetrahydroinden-1-one.

Molecular Properties

Compound Name5-methoxy-2,3,6,7-tetrahydroinden-1-one
PubChem CID163710252
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name5-methoxy-2,3,6,7-tetrahydroinden-1-one
SMILESCOC1=CC2=C(CC1)C(=O)CC2
InChIInChI=1S/C10H12O2/c1-12-8-3-4-9-7(6-8)2-5-10(9)11/h6H,2-5H2,1H3
InChIKeyKIPDGZMXKZECSC-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

3-Methoxy-2-methyl-2-cyclohexen-1-one
CID 587655
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
3-Methoxy-2-(2-methylprop-2-enyl)cyclopent-2-en-1-one
CID 14399520
1-(4-Methoxycyclohexa-1,3-dien-1-yl)ethanone
CID 14220097
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
5-Methoxy-2,3,4,7-tetrahydroinden-1-one
CID 21849980
Cyclohexa-1,3-dien-1-yl-(4-methoxycyclohexa-1,3-dien-1-yl)methanone
CID 54254642
1-[6-(2-Methoxyethyl)-2-methylcyclohexa-1,5-dien-1-yl]propan-1-one
CID 123928073
(E)-1-(4-methoxycyclohexa-1,3-dien-1-yl)-2-methylbut-2-en-1-one
CID 126607847

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,3,6,7-tetrahydroinden-1-one?
The IUPAC name of 5-methoxy-2,3,6,7-tetrahydroinden-1-one (CID 163710252) is 5-methoxy-2,3,6,7-tetrahydroinden-1-one.
What is the SMILES notation for 5-methoxy-2,3,6,7-tetrahydroinden-1-one?
The canonical SMILES for 5-methoxy-2,3,6,7-tetrahydroinden-1-one is COC1=CC2=C(CC1)C(=O)CC2.
What is the InChIKey of 5-methoxy-2,3,6,7-tetrahydroinden-1-one?
The InChIKey is KIPDGZMXKZECSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-12-8-3-4-9-7(6-8)2-5-10(9)11/h6H,2-5H2,1H3.
What are the key properties of 5-methoxy-2,3,6,7-tetrahydroinden-1-one?
5-methoxy-2,3,6,7-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 5-methoxy-2,3,6,7-tetrahydroinden-1-one is sourced from PubChem (CID 163710252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).