4-(2-chloro-4-methylphenyl)sulfanyl-2-methoxyphenol

C14H13ClO2S — CID 143476440

IUPAC4-(2-chloro-4-methylphenyl)sulfanyl-2-methoxyphenol
SMILESCOc1cc(Sc2ccc(C)cc2Cl)ccc1O
InChIInChI=1S/C14H13ClO2S/c1-9-3-6-14(11(15)7-9)18-10-4-5-12(16)13(8-10)17-2/h3-8,16H,1-2H3
InChIKeyRKUAHVCSMWJHAJ-UHFFFAOYSA-N
MW280.78 g/mol
LogP4.51
Rot. Bonds3

About 4-(2-chloro-4-methylphenyl)sulfanyl-2-methoxyphenol

4-(2-chloro-4-methylphenyl)sulfanyl-2-methoxyphenol (PubChem CID 143476440) has the molecular formula C14H13ClO2S and a molecular weight of 280.78 g/mol. Its IUPAC name is 4-(2-chloro-4-methylphenyl)sulfanyl-2-methoxyphenol.

Molecular Properties

Compound Name4-(2-chloro-4-methylphenyl)sulfanyl-2-methoxyphenol
PubChem CID143476440
Molecular FormulaC14H13ClO2S
Molecular Weight280.78 g/mol
Exact Mass280.03
IUPAC Name4-(2-chloro-4-methylphenyl)sulfanyl-2-methoxyphenol
SMILESCOc1cc(Sc2ccc(C)cc2Cl)ccc1O
InChIInChI=1S/C14H13ClO2S/c1-9-3-6-14(11(15)7-9)18-10-4-5-12(16)13(8-10)17-2/h3-8,16H,1-2H3
InChIKeyRKUAHVCSMWJHAJ-UHFFFAOYSA-N
XLogP4.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

sodium;hydride;2-methoxy-4-methylphenol
CID 174706082
2-methoxy-4-methylsulfanylphenol
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2-(4-chlorophenyl)sulfanyl-4-methylphenol
CID 21411344
2-methoxy-1-(4-methoxyphenyl)sulfanyl-4-methylbenzene
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1-chloro-2-methoxy-4-methylbenzene;2-chloro-5-methylphenol
CID 68820017
methyl N-[3-chloro-4-(4-methylphenyl)sulfanylphenyl]carbamate
CID 71421286
4-(4-methoxy-3-methylphenyl)sulfanyl-2-methylphenol
CID 54033630
2-[4-(4-hydroxy-3-methoxyphenyl)sulfanylphenyl]acetic acid
CID 91879791
(1R)-1-[3-chloro-4-(3,4-dimethylphenyl)sulfanylphenyl]ethanol
CID 78951858
(2-chloro-4-methylphenyl) thiohypofluorite
CID 144706929
[3-chloro-4-(4-methylphenyl)sulfanylphenyl]methanamine
CID 63088855
4-(4-amino-2-chlorophenyl)sulfanylphenol
CID 91879703

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methylphenyl)sulfanyl-2-methoxyphenol?
The IUPAC name of 4-(2-chloro-4-methylphenyl)sulfanyl-2-methoxyphenol (CID 143476440) is 4-(2-chloro-4-methylphenyl)sulfanyl-2-methoxyphenol.
What is the SMILES notation for 4-(2-chloro-4-methylphenyl)sulfanyl-2-methoxyphenol?
The canonical SMILES for 4-(2-chloro-4-methylphenyl)sulfanyl-2-methoxyphenol is COc1cc(Sc2ccc(C)cc2Cl)ccc1O.
What is the InChIKey of 4-(2-chloro-4-methylphenyl)sulfanyl-2-methoxyphenol?
The InChIKey is RKUAHVCSMWJHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2S/c1-9-3-6-14(11(15)7-9)18-10-4-5-12(16)13(8-10)17-2/h3-8,16H,1-2H3.
What are the key properties of 4-(2-chloro-4-methylphenyl)sulfanyl-2-methoxyphenol?
4-(2-chloro-4-methylphenyl)sulfanyl-2-methoxyphenol has a molecular weight of 280.78 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methylphenyl)sulfanyl-2-methoxyphenol is sourced from PubChem (CID 143476440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).