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

C11H10F2O3 — CID 69202251

IUPAC5-(difluoromethoxy)-6-methoxy-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1OC(F)F)CCC2=O
InChIInChI=1S/C11H10F2O3/c1-15-9-5-7-6(2-3-8(7)14)4-10(9)16-11(12)13/h4-5,11H,2-3H2,1H3
InChIKeyJKRPCIZFUUSDKD-UHFFFAOYSA-N
MW228.19 g/mol
LogP2.43
Rot. Bonds3

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

5-(difluoromethoxy)-6-methoxy-2,3-dihydroinden-1-one (PubChem CID 69202251) has the molecular formula C11H10F2O3 and a molecular weight of 228.19 g/mol. Its IUPAC name is 5-(difluoromethoxy)-6-methoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-(difluoromethoxy)-6-methoxy-2,3-dihydroinden-1-one
PubChem CID69202251
Molecular FormulaC11H10F2O3
Molecular Weight228.19 g/mol
Exact Mass228.06
IUPAC Name5-(difluoromethoxy)-6-methoxy-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1OC(F)F)CCC2=O
InChIInChI=1S/C11H10F2O3/c1-15-9-5-7-6(2-3-8(7)14)4-10(9)16-11(12)13/h4-5,11H,2-3H2,1H3
InChIKeyJKRPCIZFUUSDKD-UHFFFAOYSA-N
XLogP2.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-5-(methoxymethoxy)-2,3-dihydroinden-1-one
CID 71316138
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
2-fluoro-3-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 169495029
2,3-dimethoxy-7,7-dimethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
CID 62934537
7-methoxy-6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 10241621
6-methoxy-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one
CID 121429782
5-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]-6-methoxy-2,3-dihydroinden-1-one
CID 141081169
cyclopropyl-[8-(difluoromethoxy)-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinolin-1-yl]methanone
CID 11602414
5,6-bis(ethoxymethoxy)-2,3-dihydroinden-1-one
CID 118339181
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
CID 144806685
CID 144806685

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-6-methoxy-2,3-dihydroinden-1-one?
The IUPAC name of 5-(difluoromethoxy)-6-methoxy-2,3-dihydroinden-1-one (CID 69202251) is 5-(difluoromethoxy)-6-methoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-(difluoromethoxy)-6-methoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 5-(difluoromethoxy)-6-methoxy-2,3-dihydroinden-1-one is COc1cc2c(cc1OC(F)F)CCC2=O.
What is the InChIKey of 5-(difluoromethoxy)-6-methoxy-2,3-dihydroinden-1-one?
The InChIKey is JKRPCIZFUUSDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O3/c1-15-9-5-7-6(2-3-8(7)14)4-10(9)16-11(12)13/h4-5,11H,2-3H2,1H3.
What are the key properties of 5-(difluoromethoxy)-6-methoxy-2,3-dihydroinden-1-one?
5-(difluoromethoxy)-6-methoxy-2,3-dihydroinden-1-one has a molecular weight of 228.19 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-6-methoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 69202251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).