6-methoxy-5-(methoxymethoxy)-2,3-dihydroinden-1-one

C12H14O4 — CID 71316138

IUPAC6-methoxy-5-(methoxymethoxy)-2,3-dihydroinden-1-one
SMILESCOCOc1cc2c(cc1OC)C(=O)CC2
InChIInChI=1S/C12H14O4/c1-14-7-16-12-5-8-3-4-10(13)9(8)6-11(12)15-2/h5-6H,3-4,7H2,1-2H3
InChIKeyAFJFMVDCPCJCST-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.81
Rot. Bonds4

About 6-methoxy-5-(methoxymethoxy)-2,3-dihydroinden-1-one

6-methoxy-5-(methoxymethoxy)-2,3-dihydroinden-1-one (PubChem CID 71316138) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 6-methoxy-5-(methoxymethoxy)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-methoxy-5-(methoxymethoxy)-2,3-dihydroinden-1-one
PubChem CID71316138
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name6-methoxy-5-(methoxymethoxy)-2,3-dihydroinden-1-one
SMILESCOCOc1cc2c(cc1OC)C(=O)CC2
InChIInChI=1S/C12H14O4/c1-14-7-16-12-5-8-3-4-10(13)9(8)6-11(12)15-2/h5-6H,3-4,7H2,1-2H3
InChIKeyAFJFMVDCPCJCST-UHFFFAOYSA-N
XLogP1.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methoxy-5-(methoxymethoxy)-2,3-dihydroinden-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethoxy-6-methoxy-2,3-dihydroinden-1-one
CID 14635993
5,6-bis(ethoxymethoxy)-2,3-dihydroinden-1-one
CID 118339181
5-(difluoromethoxy)-6-methoxy-2,3-dihydroinden-1-one
CID 69202251
5-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]-6-methoxy-2,3-dihydroinden-1-one
CID 141081169
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
5,6-dihexoxy-2,3-dihydroinden-1-one
CID 139785249
3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676205
2,3-dimethoxy-7,7-dimethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
CID 62934537
6,7-dipropoxy-3,4-dihydro-2H-naphthalen-1-one
CID 10084070
2,3-dipropoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 62731892
7-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 10241621
2-fluoro-3-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 169495029

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-(methoxymethoxy)-2,3-dihydroinden-1-one?
The IUPAC name of 6-methoxy-5-(methoxymethoxy)-2,3-dihydroinden-1-one (CID 71316138) is 6-methoxy-5-(methoxymethoxy)-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-methoxy-5-(methoxymethoxy)-2,3-dihydroinden-1-one?
The canonical SMILES for 6-methoxy-5-(methoxymethoxy)-2,3-dihydroinden-1-one is COCOc1cc2c(cc1OC)C(=O)CC2.
What is the InChIKey of 6-methoxy-5-(methoxymethoxy)-2,3-dihydroinden-1-one?
The InChIKey is AFJFMVDCPCJCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-14-7-16-12-5-8-3-4-10(13)9(8)6-11(12)15-2/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 6-methoxy-5-(methoxymethoxy)-2,3-dihydroinden-1-one?
6-methoxy-5-(methoxymethoxy)-2,3-dihydroinden-1-one has a molecular weight of 222.24 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-(methoxymethoxy)-2,3-dihydroinden-1-one is sourced from PubChem (CID 71316138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).