4-[(5-chloro-2-methoxyphenyl)methylsulfanyl]phenol

C14H13ClO2S — CID 60864407

IUPAC4-[(5-chloro-2-methoxyphenyl)methylsulfanyl]phenol
SMILESCOc1ccc(Cl)cc1CSc1ccc(O)cc1
InChIInChI=1S/C14H13ClO2S/c1-17-14-7-2-11(15)8-10(14)9-18-13-5-3-12(16)4-6-13/h2-8,16H,9H2,1H3
InChIKeyIULWGTJWTXAYMA-UHFFFAOYSA-N
MW280.78 g/mol
LogP4.35
Rot. Bonds4

About 4-[(5-chloro-2-methoxyphenyl)methylsulfanyl]phenol

4-[(5-chloro-2-methoxyphenyl)methylsulfanyl]phenol (PubChem CID 60864407) has the molecular formula C14H13ClO2S and a molecular weight of 280.78 g/mol. Its IUPAC name is 4-[(5-chloro-2-methoxyphenyl)methylsulfanyl]phenol.

Molecular Properties

Compound Name4-[(5-chloro-2-methoxyphenyl)methylsulfanyl]phenol
PubChem CID60864407
Molecular FormulaC14H13ClO2S
Molecular Weight280.78 g/mol
Exact Mass280.03
IUPAC Name4-[(5-chloro-2-methoxyphenyl)methylsulfanyl]phenol
SMILESCOc1ccc(Cl)cc1CSc1ccc(O)cc1
InChIInChI=1S/C14H13ClO2S/c1-17-14-7-2-11(15)8-10(14)9-18-13-5-3-12(16)4-6-13/h2-8,16H,9H2,1H3
InChIKeyIULWGTJWTXAYMA-UHFFFAOYSA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[[4-(chloromethyl)phenyl]sulfanylmethyl]-1-methoxybenzene
CID 113373738
5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]pyridin-2-amine
CID 43301933
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
[5-[(4-chlorophenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine
CID 65338654
N-[1-(4-chlorophenyl)ethyl]-3-[(4-chlorophenyl)sulfanylmethyl]-4-methoxybenzamide
CID 133179087
S-[(5-chloro-2-methoxyphenyl)methyl] N,N-dimethylcarbamothioate
CID 12769195
4-chloro-2-[[4-(dimethoxymethyl)phenyl]sulfanylmethyl]-1-fluorobenzene
CID 103050213
4-[(3-bromo-4-methoxyphenyl)methylsulfanyl]phenol
CID 54970698
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine
CID 66143977
3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]propane-1,2-diol
CID 71862901
3-chloro-2-[(5-chloro-2-methoxyphenyl)methylsulfanyl]aniline
CID 43304660
N-[[3-[(3-chlorophenyl)sulfanylmethyl]-4-methoxyphenyl]methyl]ethanamine
CID 64633313

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-methoxyphenyl)methylsulfanyl]phenol?
The IUPAC name of 4-[(5-chloro-2-methoxyphenyl)methylsulfanyl]phenol (CID 60864407) is 4-[(5-chloro-2-methoxyphenyl)methylsulfanyl]phenol.
What is the SMILES notation for 4-[(5-chloro-2-methoxyphenyl)methylsulfanyl]phenol?
The canonical SMILES for 4-[(5-chloro-2-methoxyphenyl)methylsulfanyl]phenol is COc1ccc(Cl)cc1CSc1ccc(O)cc1.
What is the InChIKey of 4-[(5-chloro-2-methoxyphenyl)methylsulfanyl]phenol?
The InChIKey is IULWGTJWTXAYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2S/c1-17-14-7-2-11(15)8-10(14)9-18-13-5-3-12(16)4-6-13/h2-8,16H,9H2,1H3.
What are the key properties of 4-[(5-chloro-2-methoxyphenyl)methylsulfanyl]phenol?
4-[(5-chloro-2-methoxyphenyl)methylsulfanyl]phenol has a molecular weight of 280.78 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-methoxyphenyl)methylsulfanyl]phenol is sourced from PubChem (CID 60864407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).