2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone

C17H16O3S — CID 43231144

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone
SMILESO=C(CSc1ccc2c(c1)CCC2)c1ccc(O)cc1O
InChIInChI=1S/C17H16O3S/c18-13-5-7-15(16(19)9-13)17(20)10-21-14-6-4-11-2-1-3-12(11)8-14/h4-9,18-19H,1-3,10H2
InChIKeyWZXBBAQZBLXBGW-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.56
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone (PubChem CID 43231144) has the molecular formula C17H16O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone
PubChem CID43231144
Molecular FormulaC17H16O3S
Molecular Weight300.38 g/mol
Exact Mass300.08
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone
SMILESO=C(CSc1ccc2c(c1)CCC2)c1ccc(O)cc1O
InChIInChI=1S/C17H16O3S/c18-13-5-7-15(16(19)9-13)17(20)10-21-14-6-4-11-2-1-3-12(11)8-14/h4-9,18-19H,1-3,10H2
InChIKeyWZXBBAQZBLXBGW-UHFFFAOYSA-N
XLogP3.56
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7128917
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(4-fluorophenyl)ethanone
CID 43232259
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide
CID 60652446
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-piperidin-1-ylethanone
CID 60652389
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-morpholin-4-ylethanone
CID 60652352
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7500911
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 61031459
1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)sulfanylethanone
CID 43413658
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103933570
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methoxy-N-methylacetamide
CID 60656256
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide
CID 26644664
2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-hydroxypropanoic acid
CID 43357695

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone (CID 43231144) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone is O=C(CSc1ccc2c(c1)CCC2)c1ccc(O)cc1O.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone?
The InChIKey is WZXBBAQZBLXBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3S/c18-13-5-7-15(16(19)9-13)17(20)10-21-14-6-4-11-2-1-3-12(11)8-14/h4-9,18-19H,1-3,10H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone has a molecular weight of 300.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(2,4-dihydroxyphenyl)ethanone is sourced from PubChem (CID 43231144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).