2-[(E)-2-methoxy-1-(4-methoxyphenyl)ethenyl]benzenethiol

C16H16O2S — CID 46918589

IUPAC2-[(E)-2-methoxy-1-(4-methoxyphenyl)ethenyl]benzenethiol
SMILESCO/C=C(\c1ccc(OC)cc1)c1ccccc1S
InChIInChI=1S/C16H16O2S/c1-17-11-15(14-5-3-4-6-16(14)19)12-7-9-13(18-2)10-8-12/h3-11,19H,1-2H3/b15-11+
InChIKeyXLEUBMUQIUXERK-RVDMUPIBSA-N
MW272.37 g/mol
LogP4.02
Rot. Bonds4

About 2-[(E)-2-methoxy-1-(4-methoxyphenyl)ethenyl]benzenethiol

2-[(E)-2-methoxy-1-(4-methoxyphenyl)ethenyl]benzenethiol (PubChem CID 46918589) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[(E)-2-methoxy-1-(4-methoxyphenyl)ethenyl]benzenethiol.

Molecular Properties

Compound Name2-[(E)-2-methoxy-1-(4-methoxyphenyl)ethenyl]benzenethiol
PubChem CID46918589
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Name2-[(E)-2-methoxy-1-(4-methoxyphenyl)ethenyl]benzenethiol
SMILESCO/C=C(\c1ccc(OC)cc1)c1ccccc1S
InChIInChI=1S/C16H16O2S/c1-17-11-15(14-5-3-4-6-16(14)19)12-7-9-13(18-2)10-8-12/h3-11,19H,1-2H3/b15-11+
InChIKeyXLEUBMUQIUXERK-RVDMUPIBSA-N
XLogP4.02
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-[(Z)-2-(1-methoxypropan-2-yloxy)-1-phenylethenyl]benzene
CID 175230796
(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 14547230
ethyl (E)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoate
CID 102309809
2-chloro-1-(2-hydroxyphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 86032974
(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanone
CID 23404431
(Z)-3-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 19421682
N-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide
CID 103601610
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
1-methoxy-4-[(E)-2-nitro-1-phenylethenyl]benzene
CID 12634354
1-methoxy-4-[1-(2-methylphenyl)ethenyl]benzene
CID 25187424
(4-methoxyphenyl)-[2-(sulfanylmethylsulfanyl)phenyl]methanone
CID 102300318

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-methoxy-1-(4-methoxyphenyl)ethenyl]benzenethiol?
The IUPAC name of 2-[(E)-2-methoxy-1-(4-methoxyphenyl)ethenyl]benzenethiol (CID 46918589) is 2-[(E)-2-methoxy-1-(4-methoxyphenyl)ethenyl]benzenethiol.
What is the SMILES notation for 2-[(E)-2-methoxy-1-(4-methoxyphenyl)ethenyl]benzenethiol?
The canonical SMILES for 2-[(E)-2-methoxy-1-(4-methoxyphenyl)ethenyl]benzenethiol is CO/C=C(\c1ccc(OC)cc1)c1ccccc1S.
What is the InChIKey of 2-[(E)-2-methoxy-1-(4-methoxyphenyl)ethenyl]benzenethiol?
The InChIKey is XLEUBMUQIUXERK-RVDMUPIBSA-N. The full InChI is InChI=1S/C16H16O2S/c1-17-11-15(14-5-3-4-6-16(14)19)12-7-9-13(18-2)10-8-12/h3-11,19H,1-2H3/b15-11+.
What are the key properties of 2-[(E)-2-methoxy-1-(4-methoxyphenyl)ethenyl]benzenethiol?
2-[(E)-2-methoxy-1-(4-methoxyphenyl)ethenyl]benzenethiol has a molecular weight of 272.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-methoxy-1-(4-methoxyphenyl)ethenyl]benzenethiol is sourced from PubChem (CID 46918589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).