1-chloro-4-[2-(4-methylsulfanylphenyl)ethoxy]benzene

C15H15ClOS — CID 142678583

IUPAC1-chloro-4-[2-(4-methylsulfanylphenyl)ethoxy]benzene
SMILESCSc1ccc(CCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClOS/c1-18-15-8-2-12(3-9-15)10-11-17-14-6-4-13(16)5-7-14/h2-9H,10-11H2,1H3
InChIKeyBPFPTQQPWRWMQT-UHFFFAOYSA-N
MW278.80 g/mol
LogP4.68
Rot. Bonds5

About 1-chloro-4-[2-(4-methylsulfanylphenyl)ethoxy]benzene

1-chloro-4-[2-(4-methylsulfanylphenyl)ethoxy]benzene (PubChem CID 142678583) has the molecular formula C15H15ClOS and a molecular weight of 278.80 g/mol. Its IUPAC name is 1-chloro-4-[2-(4-methylsulfanylphenyl)ethoxy]benzene.

Molecular Properties

Compound Name1-chloro-4-[2-(4-methylsulfanylphenyl)ethoxy]benzene
PubChem CID142678583
Molecular FormulaC15H15ClOS
Molecular Weight278.80 g/mol
Exact Mass278.05
IUPAC Name1-chloro-4-[2-(4-methylsulfanylphenyl)ethoxy]benzene
SMILESCSc1ccc(CCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClOS/c1-18-15-8-2-12(3-9-15)10-11-17-14-6-4-13(16)5-7-14/h2-9H,10-11H2,1H3
InChIKeyBPFPTQQPWRWMQT-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.80
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene
CID 70368066
2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine
CID 105350932
2-[4-[2-(4-chlorophenoxy)ethyl]phenyl]acetamide
CID 72937831
2-[4-(4-methylsulfanylphenoxy)phenyl]ethanamine
CID 63801985
5-(4-methylsulfanylphenoxy)pentan-1-amine
CID 63649657
4-[2-(4-methylsulfanylphenoxy)ethoxy]aniline
CID 63648995
1-[2-(2-chloroethoxy)ethoxy]-4-methylsulfanylbenzene
CID 63665656
N-methyl-2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine
CID 105350936
1-(2-ethoxyethoxy)-4-methylsulfanylbenzene
CID 57317041
6-(4-methylsulfanylphenoxy)hexan-1-ol
CID 103867882
1-(6-bromohexoxy)-4-methylsulfanylbenzene
CID 18921861
3-(4-methylsulfanylphenoxy)propanal
CID 63648707

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-(4-methylsulfanylphenyl)ethoxy]benzene?
The IUPAC name of 1-chloro-4-[2-(4-methylsulfanylphenyl)ethoxy]benzene (CID 142678583) is 1-chloro-4-[2-(4-methylsulfanylphenyl)ethoxy]benzene.
What is the SMILES notation for 1-chloro-4-[2-(4-methylsulfanylphenyl)ethoxy]benzene?
The canonical SMILES for 1-chloro-4-[2-(4-methylsulfanylphenyl)ethoxy]benzene is CSc1ccc(CCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-chloro-4-[2-(4-methylsulfanylphenyl)ethoxy]benzene?
The InChIKey is BPFPTQQPWRWMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClOS/c1-18-15-8-2-12(3-9-15)10-11-17-14-6-4-13(16)5-7-14/h2-9H,10-11H2,1H3.
What are the key properties of 1-chloro-4-[2-(4-methylsulfanylphenyl)ethoxy]benzene?
1-chloro-4-[2-(4-methylsulfanylphenyl)ethoxy]benzene has a molecular weight of 278.80 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-(4-methylsulfanylphenyl)ethoxy]benzene is sourced from PubChem (CID 142678583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).