1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]ethanone

C17H16OS — CID 43330702

IUPAC1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]ethanone
SMILESCC(=O)c1ccc(Sc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C17H16OS/c1-12(18)13-5-8-16(9-6-13)19-17-10-7-14-3-2-4-15(14)11-17/h5-11H,2-4H2,1H3
InChIKeyWXSSECQVADGAOW-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.53
Rot. Bonds3

About 1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]ethanone

1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]ethanone (PubChem CID 43330702) has the molecular formula C17H16OS and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]ethanone
PubChem CID43330702
Molecular FormulaC17H16OS
Molecular Weight268.38 g/mol
Exact Mass268.09
IUPAC Name1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]ethanone
SMILESCC(=O)c1ccc(Sc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C17H16OS/c1-12(18)13-5-8-16(9-6-13)19-17-10-7-14-3-2-4-15(14)11-17/h5-11H,2-4H2,1H3
InChIKeyWXSSECQVADGAOW-UHFFFAOYSA-N
XLogP4.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone
CID 520243
ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 123573357
5-(4-acetylphenyl)sulfanyl-2-hydroxyimino-3H-inden-1-one
CID 144797795
5-chloro-2,3-dihydro-1H-indene;ethane;1-(4-methylphenyl)ethanone
CID 155718370
N-[[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine
CID 63809220
1-(4-aminophenyl)ethanone;5-chloro-2,3-dihydro-1H-indene
CID 155718260
1-[4-(4-fluorophenyl)sulfanylphenyl]ethanone
CID 10634160
N-(4-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9191578
(2R)-2-(4-acetylphenoxy)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 7763733
5-(2,3-dihydro-1H-inden-5-ylsulfanyl)pentan-2-one
CID 43425970
1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone
CID 67161719
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7128917

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]ethanone?
The IUPAC name of 1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]ethanone (CID 43330702) is 1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]ethanone is CC(=O)c1ccc(Sc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of 1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]ethanone?
The InChIKey is WXSSECQVADGAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16OS/c1-12(18)13-5-8-16(9-6-13)19-17-10-7-14-3-2-4-15(14)11-17/h5-11H,2-4H2,1H3.
What are the key properties of 1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]ethanone?
1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]ethanone has a molecular weight of 268.38 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]ethanone is sourced from PubChem (CID 43330702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).