5-chloro-2,3-dihydro-1H-indene;ethane;1-(4-methylphenyl)ethanone

C20H25ClO — CID 155718370

IUPAC5-chloro-2,3-dihydro-1H-indene;ethane;1-(4-methylphenyl)ethanone
SMILESCC.CC(=O)c1ccc(C)cc1.Clc1ccc2c(c1)CCC2
InChIInChI=1S/C9H9Cl.C9H10O.C2H6/c10-9-5-4-7-2-1-3-8(7)6-9;1-7-3-5-9(6-4-7)8(2)10;1-2/h4-6H,1-3H2;3-6H,1-2H3;1-2H3
InChIKeyTWGZXYSYFIGPNM-UHFFFAOYSA-N
MW316.87 g/mol
LogP6.05
Rot. Bonds1

About 5-chloro-2,3-dihydro-1H-indene;ethane;1-(4-methylphenyl)ethanone

5-chloro-2,3-dihydro-1H-indene;ethane;1-(4-methylphenyl)ethanone (PubChem CID 155718370) has the molecular formula C20H25ClO and a molecular weight of 316.87 g/mol. Its IUPAC name is 5-chloro-2,3-dihydro-1H-indene;ethane;1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name5-chloro-2,3-dihydro-1H-indene;ethane;1-(4-methylphenyl)ethanone
PubChem CID155718370
Molecular FormulaC20H25ClO
Molecular Weight316.87 g/mol
Exact Mass316.16
IUPAC Name5-chloro-2,3-dihydro-1H-indene;ethane;1-(4-methylphenyl)ethanone
SMILESCC.CC(=O)c1ccc(C)cc1.Clc1ccc2c(c1)CCC2
InChIInChI=1S/C9H9Cl.C9H10O.C2H6/c10-9-5-4-7-2-1-3-8(7)6-9;1-7-3-5-9(6-4-7)8(2)10;1-2/h4-6H,1-3H2;3-6H,1-2H3;1-2H3
InChIKeyTWGZXYSYFIGPNM-UHFFFAOYSA-N
XLogP6.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.87
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-aminophenyl)ethanone;5-chloro-2,3-dihydro-1H-indene
CID 155718260
ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 123573357
1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]ethanone
CID 43330702
1-(4-methylphenyl)ethanone;hydrochloride
CID 172692328
[(1S)-6-chloro-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methyl 4-methylbenzoate
CID 148786266
5-(4-methylphenyl)-2,3-dihydro-1H-indene
CID 59217485
1-[5-(4-aminophenyl)-6-(4-chloro-2-methylphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-yl]ethanone
CID 169239235
5-chloro-2,3-dihydro-1H-indene;ethane;4-(2-fluoropropylsulfanyl)benzamide
CID 155718331
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylphenyl)propan-1-one
CID 43411837
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-(4-methylphenyl)ethanone
CID 64639088
2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 115815809
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylphenyl)sulfinylethanone
CID 64635738

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dihydro-1H-indene;ethane;1-(4-methylphenyl)ethanone?
The IUPAC name of 5-chloro-2,3-dihydro-1H-indene;ethane;1-(4-methylphenyl)ethanone (CID 155718370) is 5-chloro-2,3-dihydro-1H-indene;ethane;1-(4-methylphenyl)ethanone.
What is the SMILES notation for 5-chloro-2,3-dihydro-1H-indene;ethane;1-(4-methylphenyl)ethanone?
The canonical SMILES for 5-chloro-2,3-dihydro-1H-indene;ethane;1-(4-methylphenyl)ethanone is CC.CC(=O)c1ccc(C)cc1.Clc1ccc2c(c1)CCC2.
What is the InChIKey of 5-chloro-2,3-dihydro-1H-indene;ethane;1-(4-methylphenyl)ethanone?
The InChIKey is TWGZXYSYFIGPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl.C9H10O.C2H6/c10-9-5-4-7-2-1-3-8(7)6-9;1-7-3-5-9(6-4-7)8(2)10;1-2/h4-6H,1-3H2;3-6H,1-2H3;1-2H3.
What are the key properties of 5-chloro-2,3-dihydro-1H-indene;ethane;1-(4-methylphenyl)ethanone?
5-chloro-2,3-dihydro-1H-indene;ethane;1-(4-methylphenyl)ethanone has a molecular weight of 316.87 g/mol, XLogP of 6.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dihydro-1H-indene;ethane;1-(4-methylphenyl)ethanone is sourced from PubChem (CID 155718370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).