2-[2-(2-methoxyphenyl)phenyl]ethynyl-trimethyl-λ4-sulfane

C18H20OS — CID 139473541

IUPAC2-[2-(2-methoxyphenyl)phenyl]ethynyl-trimethyl-λ4-sulfane
SMILESCOc1ccccc1-c1ccccc1C#CS(C)(C)C
InChIInChI=1S/C18H20OS/c1-19-18-12-8-7-11-17(18)16-10-6-5-9-15(16)13-14-20(2,3)4/h5-12H,1-4H3
InChIKeyCKOANFHDFXPYNW-UHFFFAOYSA-N
MW284.42 g/mol
LogP4.37
Rot. Bonds2

About 2-[2-(2-methoxyphenyl)phenyl]ethynyl-trimethyl-λ4-sulfane

2-[2-(2-methoxyphenyl)phenyl]ethynyl-trimethyl-λ4-sulfane (PubChem CID 139473541) has the molecular formula C18H20OS and a molecular weight of 284.42 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)phenyl]ethynyl-trimethyl-λ4-sulfane.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)phenyl]ethynyl-trimethyl-λ4-sulfane
PubChem CID139473541
Molecular FormulaC18H20OS
Molecular Weight284.42 g/mol
Exact Mass284.12
IUPAC Name2-[2-(2-methoxyphenyl)phenyl]ethynyl-trimethyl-λ4-sulfane
SMILESCOc1ccccc1-c1ccccc1C#CS(C)(C)C
InChIInChI=1S/C18H20OS/c1-19-18-12-8-7-11-17(18)16-10-6-5-9-15(16)13-14-20(2,3)4/h5-12H,1-4H3
InChIKeyCKOANFHDFXPYNW-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenyl)ethynesulfonyl fluoride
CID 162408413
1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene
CID 11313747
2-ethynyl-3-(2-methoxyphenyl)benzonitrile
CID 87527012
2,3-difluoro-1,4-bis(2-methoxyphenyl)benzene
CID 58004087
CID 10968300
CID 10968300
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
1-(2-phenylethynyl)-2-[2-[2-[2-[2-(2-phenylethynyl)phenyl]phenyl]ethynyl]phenyl]benzene
CID 134956691
1-(2-methoxyphenyl)-2-nitrobenzene
CID 818687
1-iodo-3-(2-methoxyphenyl)-2-methyl-4-methylsulfonylbenzene
CID 21183140
4,5-difluoro-2-(2-methoxyphenyl)benzonitrile
CID 172648926
2-(2-methoxy-4-methylphenyl)benzonitrile
CID 19389898
2-(2-methoxyphenyl)-1,3-dimethyl-5-prop-1-ynylbenzene
CID 167525314

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)phenyl]ethynyl-trimethyl-λ4-sulfane?
The IUPAC name of 2-[2-(2-methoxyphenyl)phenyl]ethynyl-trimethyl-λ4-sulfane (CID 139473541) is 2-[2-(2-methoxyphenyl)phenyl]ethynyl-trimethyl-λ4-sulfane.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)phenyl]ethynyl-trimethyl-λ4-sulfane?
The canonical SMILES for 2-[2-(2-methoxyphenyl)phenyl]ethynyl-trimethyl-λ4-sulfane is COc1ccccc1-c1ccccc1C#CS(C)(C)C.
What is the InChIKey of 2-[2-(2-methoxyphenyl)phenyl]ethynyl-trimethyl-λ4-sulfane?
The InChIKey is CKOANFHDFXPYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20OS/c1-19-18-12-8-7-11-17(18)16-10-6-5-9-15(16)13-14-20(2,3)4/h5-12H,1-4H3.
What are the key properties of 2-[2-(2-methoxyphenyl)phenyl]ethynyl-trimethyl-λ4-sulfane?
2-[2-(2-methoxyphenyl)phenyl]ethynyl-trimethyl-λ4-sulfane has a molecular weight of 284.42 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)phenyl]ethynyl-trimethyl-λ4-sulfane is sourced from PubChem (CID 139473541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).