1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene

C15H16O3S — CID 176734451

IUPAC1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene
SMILESCOc1ccc(Sc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C15H16O3S/c1-16-11-4-6-14(7-5-11)19-15-9-12(17-2)8-13(10-15)18-3/h4-10H,1-3H3
InChIKeyXQYHRRHHISBJCZ-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.86
Rot. Bonds5

About 1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene

1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene (PubChem CID 176734451) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene
PubChem CID176734451
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene
SMILESCOc1ccc(Sc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C15H16O3S/c1-16-11-4-6-14(7-5-11)19-15-9-12(17-2)8-13(10-15)18-3/h4-10H,1-3H3
InChIKeyXQYHRRHHISBJCZ-UHFFFAOYSA-N
XLogP3.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethoxy-5-phenylsulfanylbenzene
CID 122365183
1-chloro-3-(4-methoxyphenyl)sulfanyl-5-methylbenzene
CID 102434842
2-methoxy-5-(4-methoxyphenyl)sulfanylbenzonitrile
CID 91876567
4-(4-methoxyphenyl)sulfanyl-2-methylaniline
CID 43436441
2-iodo-1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene
CID 91876566
2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene
CID 13052775
1-ethyl-2-methoxy-4-(4-methoxyphenyl)sulfanylbenzene
CID 91879154
bis(4-methoxyphenyl)-[4-[4-[(4-methoxyphenyl)-(4-methylphenyl)sulfonio]phenyl]sulfanylphenyl]sulfanium
CID 159907768
4-methoxy-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]sulfanylphenyl]-N-phenylaniline
CID 18996812
2-[2-chloro-5-(3,5-dimethoxyphenyl)sulfanylphenyl]acetic acid
CID 15512442
1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethynyl]benzene
CID 11673405
4-chloro-6-(4-methoxyphenyl)sulfanyl-2-methylsulfanylpyrimidine
CID 1488149

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene?
The IUPAC name of 1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene (CID 176734451) is 1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene.
What is the SMILES notation for 1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene?
The canonical SMILES for 1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene is COc1ccc(Sc2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of 1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene?
The InChIKey is XQYHRRHHISBJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-16-11-4-6-14(7-5-11)19-15-9-12(17-2)8-13(10-15)18-3/h4-10H,1-3H3.
What are the key properties of 1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene?
1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene has a molecular weight of 276.36 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene is sourced from PubChem (CID 176734451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).