1-(2-chlorophenyl)sulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one

C18H17ClOS — CID 66142351

IUPAC1-(2-chlorophenyl)sulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
SMILESO=C(CSc1ccccc1Cl)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C18H17ClOS/c19-17-6-1-2-7-18(17)21-12-16(20)11-13-8-9-14-4-3-5-15(14)10-13/h1-2,6-10H,3-5,11-12H2
InChIKeyDRRQPRGDVQVFJN-UHFFFAOYSA-N
MW316.85 g/mol
LogP4.73
Rot. Bonds5

About 1-(2-chlorophenyl)sulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one

1-(2-chlorophenyl)sulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one (PubChem CID 66142351) has the molecular formula C18H17ClOS and a molecular weight of 316.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
PubChem CID66142351
Molecular FormulaC18H17ClOS
Molecular Weight316.85 g/mol
Exact Mass316.07
IUPAC Name1-(2-chlorophenyl)sulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
SMILESO=C(CSc1ccccc1Cl)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C18H17ClOS/c19-17-6-1-2-7-18(17)21-12-16(20)11-13-8-9-14-4-3-5-15(14)10-13/h1-2,6-10H,3-5,11-12H2
InChIKeyDRRQPRGDVQVFJN-UHFFFAOYSA-N
XLogP4.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 66140332
1-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 103039415
2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 7761053
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653
1-(2-chloro-5-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 102617723
2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 55358221
1-(3-chloro-2-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 64714500
2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 2341550
1-(2,3-dihydro-1H-inden-5-yl)-4-methylsulfanylbutan-2-one
CID 105103817
1-(2-bromo-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 66142357
1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-one
CID 79566355
(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-2-phenylacetic acid
CID 119372755

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one?
The IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one (CID 66142351) is 1-(2-chlorophenyl)sulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)sulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one?
The canonical SMILES for 1-(2-chlorophenyl)sulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one is O=C(CSc1ccccc1Cl)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2-chlorophenyl)sulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one?
The InChIKey is DRRQPRGDVQVFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClOS/c19-17-6-1-2-7-18(17)21-12-16(20)11-13-8-9-14-4-3-5-15(14)10-13/h1-2,6-10H,3-5,11-12H2.
What are the key properties of 1-(2-chlorophenyl)sulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one?
1-(2-chlorophenyl)sulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one has a molecular weight of 316.85 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfanyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one is sourced from PubChem (CID 66142351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).