5-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]-6-methoxy-2,3-dihydroinden-1-one

C16H18O5 — CID 141081169

IUPAC5-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]-6-methoxy-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1OCC1=COC(C)(C)O1)CCC2=O
InChIInChI=1S/C16H18O5/c1-16(2)20-9-11(21-16)8-19-15-6-10-4-5-13(17)12(10)7-14(15)18-3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyDLZRVTUZDAFWJN-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.83
Rot. Bonds4

About 5-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]-6-methoxy-2,3-dihydroinden-1-one

5-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]-6-methoxy-2,3-dihydroinden-1-one (PubChem CID 141081169) has the molecular formula C16H18O5 and a molecular weight of 290.31 g/mol. Its IUPAC name is 5-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]-6-methoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]-6-methoxy-2,3-dihydroinden-1-one
PubChem CID141081169
Molecular FormulaC16H18O5
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name5-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]-6-methoxy-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1OCC1=COC(C)(C)O1)CCC2=O
InChIInChI=1S/C16H18O5/c1-16(2)20-9-11(21-16)8-19-15-6-10-4-5-13(17)12(10)7-14(15)18-3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyDLZRVTUZDAFWJN-UHFFFAOYSA-N
XLogP2.83
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]-6-methoxy-2,3-dihydroinden-1-one with MolForge

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Related Compounds

5-ethoxy-6-methoxy-2,3-dihydroinden-1-one
CID 14635993
6-methoxy-5-(methoxymethoxy)-2,3-dihydroinden-1-one
CID 71316138
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676205
5-(difluoromethoxy)-6-methoxy-2,3-dihydroinden-1-one
CID 69202251
2,3-dimethoxy-7,7-dimethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
CID 62934537
5,6-bis(ethoxymethoxy)-2,3-dihydroinden-1-one
CID 118339181
5,6-dihexoxy-2,3-dihydroinden-1-one
CID 139785249
2,3-bis(phenylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 165350338
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

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]-6-methoxy-2,3-dihydroinden-1-one?
The IUPAC name of 5-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]-6-methoxy-2,3-dihydroinden-1-one (CID 141081169) is 5-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]-6-methoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]-6-methoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 5-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]-6-methoxy-2,3-dihydroinden-1-one is COc1cc2c(cc1OCC1=COC(C)(C)O1)CCC2=O.
What is the InChIKey of 5-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]-6-methoxy-2,3-dihydroinden-1-one?
The InChIKey is DLZRVTUZDAFWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5/c1-16(2)20-9-11(21-16)8-19-15-6-10-4-5-13(17)12(10)7-14(15)18-3/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 5-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]-6-methoxy-2,3-dihydroinden-1-one?
5-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]-6-methoxy-2,3-dihydroinden-1-one has a molecular weight of 290.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]-6-methoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 141081169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).