4-methoxy-2-[2-(2-methoxyphenyl)ethynyl]-1-methylsulfanylbenzene

C17H16O2S — CID 102261973

IUPAC4-methoxy-2-[2-(2-methoxyphenyl)ethynyl]-1-methylsulfanylbenzene
SMILESCOc1ccc(SC)c(C#Cc2ccccc2OC)c1
InChIInChI=1S/C17H16O2S/c1-18-15-10-11-17(20-3)14(12-15)9-8-13-6-4-5-7-16(13)19-2/h4-7,10-12H,1-3H3
InChIKeyYJXZMYOHSRBEQO-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.83
Rot. Bonds3

About 4-methoxy-2-[2-(2-methoxyphenyl)ethynyl]-1-methylsulfanylbenzene

4-methoxy-2-[2-(2-methoxyphenyl)ethynyl]-1-methylsulfanylbenzene (PubChem CID 102261973) has the molecular formula C17H16O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-methoxy-2-[2-(2-methoxyphenyl)ethynyl]-1-methylsulfanylbenzene.

Molecular Properties

Compound Name4-methoxy-2-[2-(2-methoxyphenyl)ethynyl]-1-methylsulfanylbenzene
PubChem CID102261973
Molecular FormulaC17H16O2S
Molecular Weight284.38 g/mol
Exact Mass284.09
IUPAC Name4-methoxy-2-[2-(2-methoxyphenyl)ethynyl]-1-methylsulfanylbenzene
SMILESCOc1ccc(SC)c(C#Cc2ccccc2OC)c1
InChIInChI=1S/C17H16O2S/c1-18-15-10-11-17(20-3)14(12-15)9-8-13-6-4-5-7-16(13)19-2/h4-7,10-12H,1-3H3
InChIKeyYJXZMYOHSRBEQO-UHFFFAOYSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene
CID 11313747
1,2-dimethoxy-4-[2-(4-methoxyphenyl)ethynyl]-5-methylsulfanylbenzene
CID 102261966
2-[2-[4-[2-(2,5-dimethoxyphenyl)ethynyl]phenyl]ethynyl]-1,4-dimethoxybenzene
CID 102082039
1-methoxy-2-[2-[4-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]phenyl]ethynyl]benzene
CID 70271277
2-[2-(2-methoxyphenyl)ethynyl]benzene-1,3-diamine
CID 102223785
2,7-bis[2-(2-methoxyphenyl)ethynyl]pyrene
CID 102431257
4-methoxy-2-(2-methoxyphenyl)sulfanylbenzonitrile
CID 81302751
2-(2-methoxyphenyl)ethynyl-trimethylsilane
CID 5140915
1-(3-bromoprop-1-ynyl)-2-methoxybenzene
CID 19973041
2-[4-[2-(2,5-dimethoxyphenyl)ethynyl]phenyl]-1,1-dimethyl-3,4,5-triphenylsilole
CID 139257273
2-(2-methoxyphenyl)ethynyl-phenyliodanium
CID 71725486
1,1'-biphenyl;2-methoxy-3-methylsulfanylnaphthalene
CID 157140153

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[2-(2-methoxyphenyl)ethynyl]-1-methylsulfanylbenzene?
The IUPAC name of 4-methoxy-2-[2-(2-methoxyphenyl)ethynyl]-1-methylsulfanylbenzene (CID 102261973) is 4-methoxy-2-[2-(2-methoxyphenyl)ethynyl]-1-methylsulfanylbenzene.
What is the SMILES notation for 4-methoxy-2-[2-(2-methoxyphenyl)ethynyl]-1-methylsulfanylbenzene?
The canonical SMILES for 4-methoxy-2-[2-(2-methoxyphenyl)ethynyl]-1-methylsulfanylbenzene is COc1ccc(SC)c(C#Cc2ccccc2OC)c1.
What is the InChIKey of 4-methoxy-2-[2-(2-methoxyphenyl)ethynyl]-1-methylsulfanylbenzene?
The InChIKey is YJXZMYOHSRBEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2S/c1-18-15-10-11-17(20-3)14(12-15)9-8-13-6-4-5-7-16(13)19-2/h4-7,10-12H,1-3H3.
What are the key properties of 4-methoxy-2-[2-(2-methoxyphenyl)ethynyl]-1-methylsulfanylbenzene?
4-methoxy-2-[2-(2-methoxyphenyl)ethynyl]-1-methylsulfanylbenzene has a molecular weight of 284.38 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[2-(2-methoxyphenyl)ethynyl]-1-methylsulfanylbenzene is sourced from PubChem (CID 102261973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).