2-(2,6-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)ethanone

C17H14Cl2O2 — CID 63567111

IUPAC2-(2,6-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
SMILESO=C(COc1c(Cl)cccc1Cl)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H14Cl2O2/c18-14-5-2-6-15(19)17(14)21-10-16(20)13-8-7-11-3-1-4-12(11)9-13/h2,5-9H,1,3-4,10H2
InChIKeyNQSBRLFBFRZDDH-UHFFFAOYSA-N
MW321.20 g/mol
LogP4.74
Rot. Bonds4

About 2-(2,6-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)ethanone

2-(2,6-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)ethanone (PubChem CID 63567111) has the molecular formula C17H14Cl2O2 and a molecular weight of 321.20 g/mol. Its IUPAC name is 2-(2,6-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
PubChem CID63567111
Molecular FormulaC17H14Cl2O2
Molecular Weight321.20 g/mol
Exact Mass320.04
IUPAC Name2-(2,6-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
SMILESO=C(COc1c(Cl)cccc1Cl)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H14Cl2O2/c18-14-5-2-6-15(19)17(14)21-10-16(20)13-8-7-11-3-1-4-12(11)9-13/h2,5-9H,1,3-4,10H2
InChIKeyNQSBRLFBFRZDDH-UHFFFAOYSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chloro-6-methylphenoxy)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 7233522
1-(2,3-dihydro-1H-inden-5-yl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 112778139
2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 107311672
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
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 8017408
3-chloro-4-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethoxy]benzonitrile
CID 8977247
1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone
CID 43798834
2-(4-iodophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 2953479
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 16522118
2-(2,6-dichlorophenoxy)-1-(4-propylphenyl)ethanone
CID 60626549
2-(2-chloro-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 115797451

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
The IUPAC name of 2-(2,6-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)ethanone (CID 63567111) is 2-(2,6-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)ethanone.
What is the SMILES notation for 2-(2,6-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
The canonical SMILES for 2-(2,6-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)ethanone is O=C(COc1c(Cl)cccc1Cl)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,6-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
The InChIKey is NQSBRLFBFRZDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2O2/c18-14-5-2-6-15(19)17(14)21-10-16(20)13-8-7-11-3-1-4-12(11)9-13/h2,5-9H,1,3-4,10H2.
What are the key properties of 2-(2,6-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
2-(2,6-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)ethanone has a molecular weight of 321.20 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)ethanone is sourced from PubChem (CID 63567111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).