1-methylsulfanyl-2-(3-phenylpropyl)benzene

C16H18S — CID 174929017

IUPAC1-methylsulfanyl-2-(3-phenylpropyl)benzene
SMILESCSc1ccccc1CCCc1ccccc1
InChIInChI=1S/C16H18S/c1-17-16-13-6-5-11-15(16)12-7-10-14-8-3-2-4-9-14/h2-6,8-9,11,13H,7,10,12H2,1H3
InChIKeyVFMPWFSBOSHNNF-UHFFFAOYSA-N
MW242.39 g/mol
LogP4.58
Rot. Bonds5

About 1-methylsulfanyl-2-(3-phenylpropyl)benzene

1-methylsulfanyl-2-(3-phenylpropyl)benzene (PubChem CID 174929017) has the molecular formula C16H18S and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-methylsulfanyl-2-(3-phenylpropyl)benzene.

Molecular Properties

Compound Name1-methylsulfanyl-2-(3-phenylpropyl)benzene
PubChem CID174929017
Molecular FormulaC16H18S
Molecular Weight242.39 g/mol
Exact Mass242.11
IUPAC Name1-methylsulfanyl-2-(3-phenylpropyl)benzene
SMILESCSc1ccccc1CCCc1ccccc1
InChIInChI=1S/C16H18S/c1-17-16-13-6-5-11-15(16)12-7-10-14-8-3-2-4-9-14/h2-6,8-9,11,13H,7,10,12H2,1H3
InChIKeyVFMPWFSBOSHNNF-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
2-(3-phenylpropyl)phenolate
CID 123450771
1-(2-methylsulfanylphenyl)-4-phenylbutan-1-one
CID 114969898
N-methyl-1-(2-methylsulfanylphenyl)-4-phenylbutan-1-amine
CID 115849651
4-phenylbutylbenzene
CID 141301927
2-[2-(3-phenylpropyl)phenyl]acetic acid
CID 23284627
1-fluoro-2-(5-phenylpentyl)benzene
CID 90957769
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
2-(12-phenyldodecyl)phenol
CID 70505621
ethane;1-(2-methylpropyl)-2-methylsulfanylbenzene
CID 177025711

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-2-(3-phenylpropyl)benzene?
The IUPAC name of 1-methylsulfanyl-2-(3-phenylpropyl)benzene (CID 174929017) is 1-methylsulfanyl-2-(3-phenylpropyl)benzene.
What is the SMILES notation for 1-methylsulfanyl-2-(3-phenylpropyl)benzene?
The canonical SMILES for 1-methylsulfanyl-2-(3-phenylpropyl)benzene is CSc1ccccc1CCCc1ccccc1.
What is the InChIKey of 1-methylsulfanyl-2-(3-phenylpropyl)benzene?
The InChIKey is VFMPWFSBOSHNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18S/c1-17-16-13-6-5-11-15(16)12-7-10-14-8-3-2-4-9-14/h2-6,8-9,11,13H,7,10,12H2,1H3.
What are the key properties of 1-methylsulfanyl-2-(3-phenylpropyl)benzene?
1-methylsulfanyl-2-(3-phenylpropyl)benzene has a molecular weight of 242.39 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-2-(3-phenylpropyl)benzene is sourced from PubChem (CID 174929017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).