2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)ethanone

C16H15ClO2S — CID 103289071

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CSCc2ccccc2Cl)cc1
InChIInChI=1S/C16H15ClO2S/c1-19-14-8-6-12(7-9-14)16(18)11-20-10-13-4-2-3-5-15(13)17/h2-9H,10-11H2,1H3
InChIKeyIPKBCSVDTVRKDH-UHFFFAOYSA-N
MW306.81 g/mol
LogP4.46
Rot. Bonds6

About 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)ethanone

2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)ethanone (PubChem CID 103289071) has the molecular formula C16H15ClO2S and a molecular weight of 306.81 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)ethanone
PubChem CID103289071
Molecular FormulaC16H15ClO2S
Molecular Weight306.81 g/mol
Exact Mass306.05
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CSCc2ccccc2Cl)cc1
InChIInChI=1S/C16H15ClO2S/c1-19-14-8-6-12(7-9-14)16(18)11-20-10-13-4-2-3-5-15(13)17/h2-9H,10-11H2,1H3
InChIKeyIPKBCSVDTVRKDH-UHFFFAOYSA-N
XLogP4.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-[(2-chlorophenyl)methylsulfanyl]ethanone
CID 103289013
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanone
CID 43412223
2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774
2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide
CID 879766
1-[3-[(2-chlorophenyl)methylsulfanylmethyl]-4-methoxyphenyl]ethanone
CID 103600943
S-phenacyl 4-methoxybenzenecarbothioate
CID 135051267
2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132720314
1-(4-methoxyphenyl)-2-pentylsulfanylethanone
CID 107752497
1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]ethanone;(4-methylphenyl)methanethiol
CID 158640148
2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine
CID 103290948
N-[5-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-4-methoxybenzamide
CID 108756673
3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 13045747

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)ethanone (CID 103289071) is 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)CSCc2ccccc2Cl)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)ethanone?
The InChIKey is IPKBCSVDTVRKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2S/c1-19-14-8-6-12(7-9-14)16(18)11-20-10-13-4-2-3-5-15(13)17/h2-9H,10-11H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)ethanone?
2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)ethanone has a molecular weight of 306.81 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 103289071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).