(2R)-2-(4-acetylphenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one

C20H20O3 — CID 7763733

IUPAC(2R)-2-(4-acetylphenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
SMILESCC(=O)c1ccc(O[C@H](C)C(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C20H20O3/c1-13(21)15-8-10-19(11-9-15)23-14(2)20(22)18-7-6-16-4-3-5-17(16)12-18/h6-12,14H,3-5H2,1-2H3/t14-/m1/s1
InChIKeyVFZMKBAGOBUKEK-CQSZACIVSA-N
MW308.38 g/mol
LogP4.03
Rot. Bonds5

About (2R)-2-(4-acetylphenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one

(2R)-2-(4-acetylphenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one (PubChem CID 7763733) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (2R)-2-(4-acetylphenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-acetylphenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
PubChem CID7763733
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name(2R)-2-(4-acetylphenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
SMILESCC(=O)c1ccc(O[C@H](C)C(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C20H20O3/c1-13(21)15-8-10-19(11-9-15)23-14(2)20(22)18-7-6-16-4-3-5-17(16)12-18/h6-12,14H,3-5H2,1-2H3/t14-/m1/s1
InChIKeyVFZMKBAGOBUKEK-CQSZACIVSA-N
XLogP4.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylphenyl)propan-1-one
CID 43411837
1-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-one
CID 61398636
(2R)-2-dibenzofuran-2-yloxy-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 42554771
7-[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
CID 7967815
(2R)-2-(2,3-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 7787713
2-(4-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one
CID 60625305
ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 123573357
2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride
CID 171323399
4-[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl]oxy-3-methoxybenzonitrile
CID 4804879
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2,3,6-trichlorobenzoate
CID 7170377
1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one
CID 43161092
propan-2-yl 2,3-dihydro-1H-indene-5-carboxylate
CID 60704491

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-acetylphenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one?
The IUPAC name of (2R)-2-(4-acetylphenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one (CID 7763733) is (2R)-2-(4-acetylphenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one.
What is the SMILES notation for (2R)-2-(4-acetylphenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one?
The canonical SMILES for (2R)-2-(4-acetylphenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one is CC(=O)c1ccc(O[C@H](C)C(=O)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of (2R)-2-(4-acetylphenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one?
The InChIKey is VFZMKBAGOBUKEK-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20O3/c1-13(21)15-8-10-19(11-9-15)23-14(2)20(22)18-7-6-16-4-3-5-17(16)12-18/h6-12,14H,3-5H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-2-(4-acetylphenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one?
(2R)-2-(4-acetylphenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one has a molecular weight of 308.38 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-acetylphenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one is sourced from PubChem (CID 7763733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).