1-[3-chloro-2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]ethanone

C15H13ClO2S — CID 130298426

IUPAC1-[3-chloro-2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]ethanone
SMILESCC(=O)c1cccc(Cl)c1Sc1ccccc1CO
InChIInChI=1S/C15H13ClO2S/c1-10(18)12-6-4-7-13(16)15(12)19-14-8-3-2-5-11(14)9-17/h2-8,17H,9H2,1H3
InChIKeyFZKDTCLKFVGBKA-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.19
Rot. Bonds4

About 1-[3-chloro-2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]ethanone

1-[3-chloro-2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]ethanone (PubChem CID 130298426) has the molecular formula C15H13ClO2S and a molecular weight of 292.79 g/mol. Its IUPAC name is 1-[3-chloro-2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]ethanone
PubChem CID130298426
Molecular FormulaC15H13ClO2S
Molecular Weight292.79 g/mol
Exact Mass292.03
IUPAC Name1-[3-chloro-2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]ethanone
SMILESCC(=O)c1cccc(Cl)c1Sc1ccccc1CO
InChIInChI=1S/C15H13ClO2S/c1-10(18)12-6-4-7-13(16)15(12)19-14-8-3-2-5-11(14)9-17/h2-8,17H,9H2,1H3
InChIKeyFZKDTCLKFVGBKA-UHFFFAOYSA-N
XLogP4.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-[(1S)-1-aminoethyl]-6-chlorophenyl]sulfanylphenyl]methanol
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1-(2-chlorophenyl)ethanone;hydrochloride
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1-[2,3-bis(phenylsulfanyl)phenyl]ethanone
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2-[2-(2,3-dichlorophenyl)sulfanylphenyl]acetic acid
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2-[2-(2-acetylphenyl)sulfanyl-5-chlorophenyl]acetic acid
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1-[2-ethenyl-3-(hydroxymethyl)phenyl]ethanone
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2-bromo-1-(2-chlorophenyl)ethanone;1-(2-chlorophenyl)ethanone
CID 161063575
1-[2-chloro-6-(iodomethyl)phenyl]ethanone
CID 89224717
1-[2-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]ethanone
CID 60628001
2-[2-(2-hydroxyethyl)phenyl]sulfanylbenzoic acid
CID 170908709
1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanone
CID 66155070
N-(2-acetylphenyl)-2-(2,6-dichlorophenyl)acetamide
CID 4800695

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]ethanone?
The IUPAC name of 1-[3-chloro-2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]ethanone (CID 130298426) is 1-[3-chloro-2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]ethanone?
The canonical SMILES for 1-[3-chloro-2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]ethanone is CC(=O)c1cccc(Cl)c1Sc1ccccc1CO.
What is the InChIKey of 1-[3-chloro-2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]ethanone?
The InChIKey is FZKDTCLKFVGBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2S/c1-10(18)12-6-4-7-13(16)15(12)19-14-8-3-2-5-11(14)9-17/h2-8,17H,9H2,1H3.
What are the key properties of 1-[3-chloro-2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]ethanone?
1-[3-chloro-2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]ethanone has a molecular weight of 292.79 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]ethanone is sourced from PubChem (CID 130298426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).