1-methoxy-2-(2-phenylsulfanylethyl)benzene

C15H16OS — CID 101404831

IUPAC1-methoxy-2-(2-phenylsulfanylethyl)benzene
SMILESCOc1ccccc1CCSc1ccccc1
InChIInChI=1S/C15H16OS/c1-16-15-10-6-5-7-13(15)11-12-17-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3
InChIKeyMHPQLLNMMRBDJB-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.03
Rot. Bonds5

About 1-methoxy-2-(2-phenylsulfanylethyl)benzene

1-methoxy-2-(2-phenylsulfanylethyl)benzene (PubChem CID 101404831) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-methoxy-2-(2-phenylsulfanylethyl)benzene.

Molecular Properties

Compound Name1-methoxy-2-(2-phenylsulfanylethyl)benzene
PubChem CID101404831
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name1-methoxy-2-(2-phenylsulfanylethyl)benzene
SMILESCOc1ccccc1CCSc1ccccc1
InChIInChI=1S/C15H16OS/c1-16-15-10-6-5-7-13(15)11-12-17-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3
InChIKeyMHPQLLNMMRBDJB-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-2-[2-[2-(2-methoxyphenyl)ethyldisulfanyl]ethyl]benzene
CID 175444939
N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 26777809
N-[(2-methoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)formamide
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2-[2-(2-methoxyphenyl)ethylsulfanyl]acetic acid
CID 94768509
1-(2-methoxyphenyl)-3-phenylsulfanylpropan-2-ol
CID 65142108
N-[(2-methoxyphenyl)methyl]-N-methyl-3-phenylsulfanylpropanamide
CID 46778454
2-(2-methoxyphenyl)-N-(3-phenylsulfanylpropyl)acetamide
CID 38567183
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
acetylene;1-(2-bromoethyl)-2-methoxybenzene
CID 143927772
1-(2-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
CID 65142417
N-[3-(2-methoxyphenyl)propyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 46762989
4-(2-methoxyphenyl)-2-phenylbutan-1-amine
CID 81010261

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(2-phenylsulfanylethyl)benzene?
The IUPAC name of 1-methoxy-2-(2-phenylsulfanylethyl)benzene (CID 101404831) is 1-methoxy-2-(2-phenylsulfanylethyl)benzene.
What is the SMILES notation for 1-methoxy-2-(2-phenylsulfanylethyl)benzene?
The canonical SMILES for 1-methoxy-2-(2-phenylsulfanylethyl)benzene is COc1ccccc1CCSc1ccccc1.
What is the InChIKey of 1-methoxy-2-(2-phenylsulfanylethyl)benzene?
The InChIKey is MHPQLLNMMRBDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-16-15-10-6-5-7-13(15)11-12-17-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3.
What are the key properties of 1-methoxy-2-(2-phenylsulfanylethyl)benzene?
1-methoxy-2-(2-phenylsulfanylethyl)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-2-(2-phenylsulfanylethyl)benzene is sourced from PubChem (CID 101404831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).