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

C11H14O3 — CID 141073702

IUPAC5,6-dimethoxy-2,3,4,5-tetrahydroinden-1-one
SMILESCOC1=CC2=C(CCC2=O)CC1OC
InChIInChI=1S/C11H14O3/c1-13-10-5-7-3-4-9(12)8(7)6-11(10)14-2/h6,10H,3-5H2,1-2H3
InChIKeyTXKIXAYAONHMOM-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.59
Rot. Bonds2

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

5,6-dimethoxy-2,3,4,5-tetrahydroinden-1-one (PubChem CID 141073702) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5,6-dimethoxy-2,3,4,5-tetrahydroinden-1-one.

Molecular Properties

Compound Name5,6-dimethoxy-2,3,4,5-tetrahydroinden-1-one
PubChem CID141073702
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name5,6-dimethoxy-2,3,4,5-tetrahydroinden-1-one
SMILESCOC1=CC2=C(CCC2=O)CC1OC
InChIInChI=1S/C11H14O3/c1-13-10-5-7-3-4-9(12)8(7)6-11(10)14-2/h6,10H,3-5H2,1-2H3
InChIKeyTXKIXAYAONHMOM-UHFFFAOYSA-N
XLogP1.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Methoxymethyl)-4-methylidenecyclohex-2-en-1-one
CID 101584362
5,8,9,9a-Tetrahydrobenzo[f][1]benzofuran-6,7-dione
CID 21838846
methyl 2-(2-methoxyethoxy)-5,6-dihydro-4H-indene-1-carboxylate
CID 54356226
5-acetyl-4-methoxy-6,7-dihydro-4H-cyclopenta[c]pyran-3-one
CID 57303507
6-methoxy-4,6,7,8-tetrahydro-3H-naphthalen-2-one
CID 68446381
3-(1,4-Dioxan-2-yl)cyclohex-2-en-1-one
CID 91472547
1-[4-(6-Methoxycyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]ethanone
CID 131969329
6-(4,5-Dimethoxycyclohexa-1,5-dien-1-yl)hexan-2-one
CID 139309748
7-Methoxy-2,3,4,5-tetrahydroinden-1-one
CID 140983016
6-Methoxy-2,3,4,5-tetrahydroinden-1-one
CID 140987148
5-Methoxy-2,3,4,5-tetrahydroinden-1-one
CID 141003779
4-Methoxy-2,3,4,5-tetrahydroinden-1-one
CID 141174086

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2,3,4,5-tetrahydroinden-1-one?
The IUPAC name of 5,6-dimethoxy-2,3,4,5-tetrahydroinden-1-one (CID 141073702) is 5,6-dimethoxy-2,3,4,5-tetrahydroinden-1-one.
What is the SMILES notation for 5,6-dimethoxy-2,3,4,5-tetrahydroinden-1-one?
The canonical SMILES for 5,6-dimethoxy-2,3,4,5-tetrahydroinden-1-one is COC1=CC2=C(CCC2=O)CC1OC.
What is the InChIKey of 5,6-dimethoxy-2,3,4,5-tetrahydroinden-1-one?
The InChIKey is TXKIXAYAONHMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-13-10-5-7-3-4-9(12)8(7)6-11(10)14-2/h6,10H,3-5H2,1-2H3.
What are the key properties of 5,6-dimethoxy-2,3,4,5-tetrahydroinden-1-one?
5,6-dimethoxy-2,3,4,5-tetrahydroinden-1-one has a molecular weight of 194.23 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2,3,4,5-tetrahydroinden-1-one is sourced from PubChem (CID 141073702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).