1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoro-4-methylphenoxy)ethanone

C18H17FO2 — CID 107169810

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoro-4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)c2ccc3c(c2)CCC3)cc1F
InChIInChI=1S/C18H17FO2/c1-12-5-8-16(10-17(12)19)21-11-18(20)15-7-6-13-3-2-4-14(13)9-15/h5-10H,2-4,11H2,1H3
InChIKeyMCNFHXGCFUZXPZ-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.88
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoro-4-methylphenoxy)ethanone

1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoro-4-methylphenoxy)ethanone (PubChem CID 107169810) has the molecular formula C18H17FO2 and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoro-4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoro-4-methylphenoxy)ethanone
PubChem CID107169810
Molecular FormulaC18H17FO2
Molecular Weight284.33 g/mol
Exact Mass284.12
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoro-4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)c2ccc3c(c2)CCC3)cc1F
InChIInChI=1S/C18H17FO2/c1-12-5-8-16(10-17(12)19)21-11-18(20)15-7-6-13-3-2-4-14(13)9-15/h5-10H,2-4,11H2,1H3
InChIKeyMCNFHXGCFUZXPZ-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluorophenoxy)ethanone
CID 43413398
1-(4-chlorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone
CID 43411846
1-(2,3-dihydro-1H-inden-5-yl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 112778139
2-(4-iodophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 2953479
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(2,5-dimethylphenyl)ethanone
CID 43411830
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 43411823
2-(3,4-difluorophenoxy)-1-(3,4-difluorophenyl)ethanone
CID 43612522
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678932
ethane;2-(3-fluoro-4-methylphenoxy)acetic acid
CID 155714293
2-(3-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)ethanone
CID 83234637
2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone
CID 43612523
1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone
CID 43798834

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoro-4-methylphenoxy)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoro-4-methylphenoxy)ethanone (CID 107169810) is 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoro-4-methylphenoxy)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoro-4-methylphenoxy)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoro-4-methylphenoxy)ethanone is Cc1ccc(OCC(=O)c2ccc3c(c2)CCC3)cc1F.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoro-4-methylphenoxy)ethanone?
The InChIKey is MCNFHXGCFUZXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO2/c1-12-5-8-16(10-17(12)19)21-11-18(20)15-7-6-13-3-2-4-14(13)9-15/h5-10H,2-4,11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoro-4-methylphenoxy)ethanone?
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoro-4-methylphenoxy)ethanone has a molecular weight of 284.33 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoro-4-methylphenoxy)ethanone is sourced from PubChem (CID 107169810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).