1-methoxy-4-(2-methylphenyl)sulfanylbenzene

C14H14OS — CID 58715666

IUPAC1-methoxy-4-(2-methylphenyl)sulfanylbenzene
SMILESCOc1ccc(Sc2ccccc2C)cc1
InChIInChI=1S/C14H14OS/c1-11-5-3-4-6-14(11)16-13-9-7-12(15-2)8-10-13/h3-10H,1-2H3
InChIKeyAMMVRVYLUZMVDM-UHFFFAOYSA-N
MW230.33 g/mol
LogP4.15
Rot. Bonds3

About 1-methoxy-4-(2-methylphenyl)sulfanylbenzene

1-methoxy-4-(2-methylphenyl)sulfanylbenzene (PubChem CID 58715666) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-methoxy-4-(2-methylphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-methoxy-4-(2-methylphenyl)sulfanylbenzene
PubChem CID58715666
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name1-methoxy-4-(2-methylphenyl)sulfanylbenzene
SMILESCOc1ccc(Sc2ccccc2C)cc1
InChIInChI=1S/C14H14OS/c1-11-5-3-4-6-14(11)16-13-9-7-12(15-2)8-10-13/h3-10H,1-2H3
InChIKeyAMMVRVYLUZMVDM-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene
CID 132916371
4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene
CID 91877415
(1R)-1-[2-(4-methoxyphenyl)sulfanylphenyl]ethanol
CID 78952059
1-bromo-4-(2-methylphenyl)sulfanylbenzene;ethane
CID 143619217
2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene
CID 13052775
1-[4-(2-methylphenyl)sulfanylphenyl]ethanol
CID 63835400
[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methanol
CID 63814136
ethane;1-methoxy-4-[(2-methylphenyl)sulfanylmethyl]benzene
CID 91259984
1-methoxy-4-[2-(3-methylbut-3-enyl)phenyl]sulfanylbenzene
CID 71387554
N-[[2-(4-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63804403
8-(4-methoxyphenyl)sulfanylquinoline
CID 177466194
2-methoxy-1-(4-methoxyphenyl)sulfanyl-4-methylbenzene
CID 18738952

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2-methylphenyl)sulfanylbenzene?
The IUPAC name of 1-methoxy-4-(2-methylphenyl)sulfanylbenzene (CID 58715666) is 1-methoxy-4-(2-methylphenyl)sulfanylbenzene.
What is the SMILES notation for 1-methoxy-4-(2-methylphenyl)sulfanylbenzene?
The canonical SMILES for 1-methoxy-4-(2-methylphenyl)sulfanylbenzene is COc1ccc(Sc2ccccc2C)cc1.
What is the InChIKey of 1-methoxy-4-(2-methylphenyl)sulfanylbenzene?
The InChIKey is AMMVRVYLUZMVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c1-11-5-3-4-6-14(11)16-13-9-7-12(15-2)8-10-13/h3-10H,1-2H3.
What are the key properties of 1-methoxy-4-(2-methylphenyl)sulfanylbenzene?
1-methoxy-4-(2-methylphenyl)sulfanylbenzene has a molecular weight of 230.33 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2-methylphenyl)sulfanylbenzene is sourced from PubChem (CID 58715666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).