4,4-dimethoxy-2,3-dihydro-1H-inden-5-one

C11H14O3 — CID 11571950

IUPAC4,4-dimethoxy-2,3-dihydro-1H-inden-5-one
SMILESCOC1(OC)C(=O)C=CC2=C1CCC2
InChIInChI=1S/C11H14O3/c1-13-11(14-2)9-5-3-4-8(9)6-7-10(11)12/h6-7H,3-5H2,1-2H3
InChIKeyKHZAYJSDZNSWPN-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.59
Rot. Bonds2

About 4,4-dimethoxy-2,3-dihydro-1H-inden-5-one

4,4-dimethoxy-2,3-dihydro-1H-inden-5-one (PubChem CID 11571950) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4,4-dimethoxy-2,3-dihydro-1H-inden-5-one.

Molecular Properties

Compound Name4,4-dimethoxy-2,3-dihydro-1H-inden-5-one
PubChem CID11571950
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name4,4-dimethoxy-2,3-dihydro-1H-inden-5-one
SMILESCOC1(OC)C(=O)C=CC2=C1CCC2
InChIInChI=1S/C11H14O3/c1-13-11(14-2)9-5-3-4-8(9)6-7-10(11)12/h6-7H,3-5H2,1-2H3
InChIKeyKHZAYJSDZNSWPN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-5,6,7,8-tetrahydro-1H-naphthalen-2-one
CID 70459192
5-Methoxy-2,3,4,5-tetrahydroinden-1-one
CID 141003779
2,2-dimethoxy-4,5-dihydro-3H-inden-1-one
CID 142725914
3-Butyl-2-ethenyl-4,4-dimethoxycyclobut-2-en-1-one
CID 9990698
3-But-3-enyl-2-ethenyl-4,4-dimethoxycyclobut-2-en-1-one
CID 10081790
7-Ethyl-1,1-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-one
CID 10585904
1,1-Dimethoxy-7-methyl-5,6,7,8-tetrahydronaphthalen-2-one
CID 11521420
1,1-Dimethoxy-5,6,7,8-tetrahydronaphthalen-2-one
CID 11557530
1,1-Dimethoxy-6-methyl-5,6,7,8-tetrahydronaphthalen-2-one
CID 11694259

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-2,3-dihydro-1H-inden-5-one?
The IUPAC name of 4,4-dimethoxy-2,3-dihydro-1H-inden-5-one (CID 11571950) is 4,4-dimethoxy-2,3-dihydro-1H-inden-5-one.
What is the SMILES notation for 4,4-dimethoxy-2,3-dihydro-1H-inden-5-one?
The canonical SMILES for 4,4-dimethoxy-2,3-dihydro-1H-inden-5-one is COC1(OC)C(=O)C=CC2=C1CCC2.
What is the InChIKey of 4,4-dimethoxy-2,3-dihydro-1H-inden-5-one?
The InChIKey is KHZAYJSDZNSWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-13-11(14-2)9-5-3-4-8(9)6-7-10(11)12/h6-7H,3-5H2,1-2H3.
What are the key properties of 4,4-dimethoxy-2,3-dihydro-1H-inden-5-one?
4,4-dimethoxy-2,3-dihydro-1H-inden-5-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 4,4-dimethoxy-2,3-dihydro-1H-inden-5-one is sourced from PubChem (CID 11571950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).