[2-(2-ethylphenyl)sulfanylphenyl]-phenylmethanone

C21H18OS — CID 174908112

IUPAC[2-(2-ethylphenyl)sulfanylphenyl]-phenylmethanone
SMILESCCc1ccccc1Sc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C21H18OS/c1-2-16-10-6-8-14-19(16)23-20-15-9-7-13-18(20)21(22)17-11-4-3-5-12-17/h3-15H,2H2,1H3
InChIKeyXVGINFJERZTNOM-UHFFFAOYSA-N
MW318.44 g/mol
LogP5.63
Rot. Bonds5

About [2-(2-ethylphenyl)sulfanylphenyl]-phenylmethanone

[2-(2-ethylphenyl)sulfanylphenyl]-phenylmethanone (PubChem CID 174908112) has the molecular formula C21H18OS and a molecular weight of 318.44 g/mol. Its IUPAC name is [2-(2-ethylphenyl)sulfanylphenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(2-ethylphenyl)sulfanylphenyl]-phenylmethanone
PubChem CID174908112
Molecular FormulaC21H18OS
Molecular Weight318.44 g/mol
Exact Mass318.11
IUPAC Name[2-(2-ethylphenyl)sulfanylphenyl]-phenylmethanone
SMILESCCc1ccccc1Sc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C21H18OS/c1-2-16-10-6-8-14-19(16)23-20-15-9-7-13-18(20)21(22)17-11-4-3-5-12-17/h3-15H,2H2,1H3
InChIKeyXVGINFJERZTNOM-UHFFFAOYSA-N
XLogP5.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.44
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2-(2-ethylphenyl)sulfanylbenzene
CID 19792412
sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
(2-methylsulfanylphenyl)-phenylmethanone
CID 14145188
(2,3-diethylphenyl)-phenylmethanone;phosphenous acid
CID 174596350
[2-(4-fluorophenyl)sulfanylphenyl]-phenylmethanone
CID 157369619
2-[(2-benzoylphenyl)sulfanylmethyl]butanal
CID 22325223
diphenylmethanone;(2-ethylbenzoyl)phosphonic acid
CID 175203276
2-[2-(2-hydroxyethyl)phenyl]sulfanylbenzoic acid
CID 170908709
[2-(2-aminopropyl)phenyl]-phenylmethanone
CID 130367835
phenyl-(2-tridecylphenyl)methanone
CID 159151783
(2,3-dipropylphenyl)-phenylmethanone
CID 23045952
2-(2-benzoylphenyl)acetyl chloride
CID 139777615

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylphenyl)sulfanylphenyl]-phenylmethanone?
The IUPAC name of [2-(2-ethylphenyl)sulfanylphenyl]-phenylmethanone (CID 174908112) is [2-(2-ethylphenyl)sulfanylphenyl]-phenylmethanone.
What is the SMILES notation for [2-(2-ethylphenyl)sulfanylphenyl]-phenylmethanone?
The canonical SMILES for [2-(2-ethylphenyl)sulfanylphenyl]-phenylmethanone is CCc1ccccc1Sc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [2-(2-ethylphenyl)sulfanylphenyl]-phenylmethanone?
The InChIKey is XVGINFJERZTNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18OS/c1-2-16-10-6-8-14-19(16)23-20-15-9-7-13-18(20)21(22)17-11-4-3-5-12-17/h3-15H,2H2,1H3.
What are the key properties of [2-(2-ethylphenyl)sulfanylphenyl]-phenylmethanone?
[2-(2-ethylphenyl)sulfanylphenyl]-phenylmethanone has a molecular weight of 318.44 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylphenyl)sulfanylphenyl]-phenylmethanone is sourced from PubChem (CID 174908112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).