2-methoxy-4-(3-methoxyphenyl)sulfanyl-1-methylbenzene

C15H16O2S — CID 18738972

IUPAC2-methoxy-4-(3-methoxyphenyl)sulfanyl-1-methylbenzene
SMILESCOc1cccc(Sc2ccc(C)c(OC)c2)c1
InChIInChI=1S/C15H16O2S/c1-11-7-8-14(10-15(11)17-3)18-13-6-4-5-12(9-13)16-2/h4-10H,1-3H3
InChIKeyRZFLLKOHWKUFTK-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.16
Rot. Bonds4

About 2-methoxy-4-(3-methoxyphenyl)sulfanyl-1-methylbenzene

2-methoxy-4-(3-methoxyphenyl)sulfanyl-1-methylbenzene (PubChem CID 18738972) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-methoxy-4-(3-methoxyphenyl)sulfanyl-1-methylbenzene.

Molecular Properties

Compound Name2-methoxy-4-(3-methoxyphenyl)sulfanyl-1-methylbenzene
PubChem CID18738972
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name2-methoxy-4-(3-methoxyphenyl)sulfanyl-1-methylbenzene
SMILESCOc1cccc(Sc2ccc(C)c(OC)c2)c1
InChIInChI=1S/C15H16O2S/c1-11-7-8-14(10-15(11)17-3)18-13-6-4-5-12(9-13)16-2/h4-10H,1-3H3
InChIKeyRZFLLKOHWKUFTK-UHFFFAOYSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-4-(3-methoxyphenyl)sulfanylaniline
CID 63675963
4-ethylsulfanyl-2-methoxy-1-methylbenzene
CID 91876133
2-chloro-4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidine
CID 79073515
4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine
CID 80884012
4-(3-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine
CID 113368207
4-chloro-2-(3-methoxyphenyl)sulfanylaniline
CID 115469501
1-[4-(3-methoxyphenyl)sulfanyl-3-methylphenyl]-N-methylmethanamine
CID 63806472
6-(3-methoxyphenyl)sulfanylquinazoline-2,4-diamine
CID 626823
6-(3-methoxyphenyl)sulfanylpyrazin-2-amine
CID 80646798
(3-methoxyphenyl)-[2-methoxy-4-(4-phenylphenyl)sulfanylphenyl]-(4-phenylphenyl)sulfanium
CID 147710735
1,3-dimethoxy-5-phenylsulfanylbenzene
CID 122365183
3-hydroxy-6-(3-methoxyphenyl)sulfanyl-1-methyl-3H-indol-2-one
CID 81302079

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(3-methoxyphenyl)sulfanyl-1-methylbenzene?
The IUPAC name of 2-methoxy-4-(3-methoxyphenyl)sulfanyl-1-methylbenzene (CID 18738972) is 2-methoxy-4-(3-methoxyphenyl)sulfanyl-1-methylbenzene.
What is the SMILES notation for 2-methoxy-4-(3-methoxyphenyl)sulfanyl-1-methylbenzene?
The canonical SMILES for 2-methoxy-4-(3-methoxyphenyl)sulfanyl-1-methylbenzene is COc1cccc(Sc2ccc(C)c(OC)c2)c1.
What is the InChIKey of 2-methoxy-4-(3-methoxyphenyl)sulfanyl-1-methylbenzene?
The InChIKey is RZFLLKOHWKUFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-11-7-8-14(10-15(11)17-3)18-13-6-4-5-12(9-13)16-2/h4-10H,1-3H3.
What are the key properties of 2-methoxy-4-(3-methoxyphenyl)sulfanyl-1-methylbenzene?
2-methoxy-4-(3-methoxyphenyl)sulfanyl-1-methylbenzene has a molecular weight of 260.36 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(3-methoxyphenyl)sulfanyl-1-methylbenzene is sourced from PubChem (CID 18738972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).