4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one

C17H15FO3 — CID 104792196

IUPAC4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one
SMILESCOc1cccc(COc2cccc3c2CCC3=O)c1F
InChIInChI=1S/C17H15FO3/c1-20-16-7-2-4-11(17(16)18)10-21-15-6-3-5-12-13(15)8-9-14(12)19/h2-7H,8-10H2,1H3
InChIKeySPGAHKUFLMIZHY-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.54
Rot. Bonds4

About 4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one

4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one (PubChem CID 104792196) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is 4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one
PubChem CID104792196
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Name4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one
SMILESCOc1cccc(COc2cccc3c2CCC3=O)c1F
InChIInChI=1S/C17H15FO3/c1-20-16-7-2-4-11(17(16)18)10-21-15-6-3-5-12-13(15)8-9-14(12)19/h2-7H,8-10H2,1H3
InChIKeySPGAHKUFLMIZHY-UHFFFAOYSA-N
XLogP3.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]benzonitrile
CID 103759988
4-[(2-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-one
CID 60705375
5-[(2-chloro-3-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 115982930
1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene
CID 104795197
4-(2-methoxyethoxy)-2,3-dihydroinden-1-one
CID 60705268
4-[(4-ethylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 63090320
4-[(2,4-dichlorophenyl)methoxy]-2,3-dihydroinden-1-one
CID 60705420
2-[7-[(2-fluoro-3-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]-N-methylacetamide
CID 145070230
4-[(3-methylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 55025444
5-[(2-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 65456345
5-[(2,3-dimethoxyphenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
CID 156892023
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one?
The IUPAC name of 4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one (CID 104792196) is 4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one?
The canonical SMILES for 4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one is COc1cccc(COc2cccc3c2CCC3=O)c1F.
What is the InChIKey of 4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one?
The InChIKey is SPGAHKUFLMIZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO3/c1-20-16-7-2-4-11(17(16)18)10-21-15-6-3-5-12-13(15)8-9-14(12)19/h2-7H,8-10H2,1H3.
What are the key properties of 4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one?
4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one has a molecular weight of 286.30 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one is sourced from PubChem (CID 104792196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).