(2R)-2-(2,3-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one

C18H16Cl2O2 — CID 7787713

IUPAC(2R)-2-(2,3-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
SMILESC[C@@H](Oc1cccc(Cl)c1Cl)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H16Cl2O2/c1-11(22-16-7-3-6-15(19)17(16)20)18(21)14-9-8-12-4-2-5-13(12)10-14/h3,6-11H,2,4-5H2,1H3/t11-/m1/s1
InChIKeyPXRGUWCIGAEZHI-LLVKDONJSA-N
MW335.23 g/mol
LogP5.13
Rot. Bonds4

About (2R)-2-(2,3-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one

(2R)-2-(2,3-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one (PubChem CID 7787713) has the molecular formula C18H16Cl2O2 and a molecular weight of 335.23 g/mol. Its IUPAC name is (2R)-2-(2,3-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-(2,3-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
PubChem CID7787713
Molecular FormulaC18H16Cl2O2
Molecular Weight335.23 g/mol
Exact Mass334.05
IUPAC Name(2R)-2-(2,3-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
SMILESC[C@@H](Oc1cccc(Cl)c1Cl)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H16Cl2O2/c1-11(22-16-7-3-6-15(19)17(16)20)18(21)14-9-8-12-4-2-5-13(12)10-14/h3,6-11H,2,4-5H2,1H3/t11-/m1/s1
InChIKeyPXRGUWCIGAEZHI-LLVKDONJSA-N
XLogP5.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.23
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)propan-1-one
CID 60624707
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate
CID 7820398
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2,3,6-trichlorobenzoate
CID 7170377
(2R)-2-(4-acetylphenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 7763733
4-[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl]oxy-3-methoxybenzonitrile
CID 4804879
2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 107311672
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylphenyl)propan-1-one
CID 43411837
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propan-1-one
CID 4804836
(2R)-2-(2,3-dichlorophenoxy)propanamide
CID 7372370
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 7824653
(2R)-2-dibenzofuran-2-yloxy-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 42554771
1-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-one
CID 61398636

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one?
The IUPAC name of (2R)-2-(2,3-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one (CID 7787713) is (2R)-2-(2,3-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one.
What is the SMILES notation for (2R)-2-(2,3-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one?
The canonical SMILES for (2R)-2-(2,3-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one is C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of (2R)-2-(2,3-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one?
The InChIKey is PXRGUWCIGAEZHI-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16Cl2O2/c1-11(22-16-7-3-6-15(19)17(16)20)18(21)14-9-8-12-4-2-5-13(12)10-14/h3,6-11H,2,4-5H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-(2,3-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one?
(2R)-2-(2,3-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one has a molecular weight of 335.23 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one is sourced from PubChem (CID 7787713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).