1-methoxy-4-(2-phenylethylsulfanyl)benzene

C15H16OS — CID 15739781

IUPAC1-methoxy-4-(2-phenylethylsulfanyl)benzene
SMILESCOc1ccc(SCCc2ccccc2)cc1
InChIInChI=1S/C15H16OS/c1-16-14-7-9-15(10-8-14)17-12-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChIKeyDINSJTUYJLNARL-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.03
Rot. Bonds5

About 1-methoxy-4-(2-phenylethylsulfanyl)benzene

1-methoxy-4-(2-phenylethylsulfanyl)benzene (PubChem CID 15739781) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-methoxy-4-(2-phenylethylsulfanyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(2-phenylethylsulfanyl)benzene
PubChem CID15739781
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name1-methoxy-4-(2-phenylethylsulfanyl)benzene
SMILESCOc1ccc(SCCc2ccccc2)cc1
InChIInChI=1S/C15H16OS/c1-16-14-7-9-15(10-8-14)17-12-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChIKeyDINSJTUYJLNARL-UHFFFAOYSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene
CID 132576482
1-methoxy-4-(3-phenylpropylsulfanyl)benzene;methyl acetate
CID 70396205
1-[4-[2-(4-methoxyphenyl)ethylsulfanyl]phenyl]ethanamine
CID 65445004
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41325047
1-butoxy-4-(2-phenylsulfanylethyl)benzene;pentahydrofluoride
CID 67939398
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
2-[2-(4-methoxyphenyl)sulfanylethyl]pyridine;oxalic acid
CID 2854786
2-chloro-4-[2-(4-methoxyphenyl)ethylsulfanyl]aniline
CID 79149182
N,N-dibenzyl-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086505
1-methyl-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene
CID 162410054

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2-phenylethylsulfanyl)benzene?
The IUPAC name of 1-methoxy-4-(2-phenylethylsulfanyl)benzene (CID 15739781) is 1-methoxy-4-(2-phenylethylsulfanyl)benzene.
What is the SMILES notation for 1-methoxy-4-(2-phenylethylsulfanyl)benzene?
The canonical SMILES for 1-methoxy-4-(2-phenylethylsulfanyl)benzene is COc1ccc(SCCc2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-(2-phenylethylsulfanyl)benzene?
The InChIKey is DINSJTUYJLNARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-16-14-7-9-15(10-8-14)17-12-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3.
What are the key properties of 1-methoxy-4-(2-phenylethylsulfanyl)benzene?
1-methoxy-4-(2-phenylethylsulfanyl)benzene has a molecular weight of 244.36 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2-phenylethylsulfanyl)benzene is sourced from PubChem (CID 15739781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).