methyl 2-(4-methoxyphenyl)-2-phenylsulfanylpenta-3,4-dienoate

C19H18O3S — CID 23248186

IUPACmethyl 2-(4-methoxyphenyl)-2-phenylsulfanylpenta-3,4-dienoate
SMILESC=C=CC(Sc1ccccc1)(C(=O)OC)c1ccc(OC)cc1
InChIInChI=1S/C19H18O3S/c1-4-14-19(18(20)22-3,23-17-8-6-5-7-9-17)15-10-12-16(21-2)13-11-15/h5-14H,1H2,2-3H3
InChIKeyOVGWHYWWLBMNQU-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.20
Rot. Bonds6

About methyl 2-(4-methoxyphenyl)-2-phenylsulfanylpenta-3,4-dienoate

methyl 2-(4-methoxyphenyl)-2-phenylsulfanylpenta-3,4-dienoate (PubChem CID 23248186) has the molecular formula C19H18O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is methyl 2-(4-methoxyphenyl)-2-phenylsulfanylpenta-3,4-dienoate.

Molecular Properties

Compound Namemethyl 2-(4-methoxyphenyl)-2-phenylsulfanylpenta-3,4-dienoate
PubChem CID23248186
Molecular FormulaC19H18O3S
Molecular Weight326.42 g/mol
Exact Mass326.10
IUPAC Namemethyl 2-(4-methoxyphenyl)-2-phenylsulfanylpenta-3,4-dienoate
SMILESC=C=CC(Sc1ccccc1)(C(=O)OC)c1ccc(OC)cc1
InChIInChI=1S/C19H18O3S/c1-4-14-19(18(20)22-3,23-17-8-6-5-7-9-17)15-10-12-16(21-2)13-11-15/h5-14H,1H2,2-3H3
InChIKeyOVGWHYWWLBMNQU-UHFFFAOYSA-N
XLogP4.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-methoxyphenyl)sulfanyl-2-phenylpenta-3,4-dienoate
CID 135006507
1-[1,1-bis(phenylsulfanyl)ethyl]-4-methoxybenzene
CID 102387106
1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one
CID 141100176
methyl 2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-(4-methoxyphenyl)-2-phenylsulfanylacetate
CID 16726971
diethyl 2-(4-methoxyphenyl)-2-(3-phenylsulfanylprop-2-ynyl)propanedioate
CID 142711783
ethyl 3,3-bis[(4-methoxyphenyl)sulfanyl]-3-phenylpropanoate
CID 14593774
methyl (E)-2-acetyl-2-phenylsulfanylpent-3-enoate
CID 13448131
2-(4-methoxyphenyl)-2-phenylpropanenitrile
CID 175950796
2-(4-methoxyphenyl)-2-(2-methylanilino)propanoic acid
CID 60990825
dimethyl 2-[(1S)-1-(4-methoxyphenyl)prop-2-enyl]-2-methylpropanedioate
CID 11808469
anisole;ethane;propan-2-one
CID 164986667
3-chloro-N-(4-methoxyphenyl)-2-methyl-2-phenylsulfanylpropanamide
CID 71412597

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxyphenyl)-2-phenylsulfanylpenta-3,4-dienoate?
The IUPAC name of methyl 2-(4-methoxyphenyl)-2-phenylsulfanylpenta-3,4-dienoate (CID 23248186) is methyl 2-(4-methoxyphenyl)-2-phenylsulfanylpenta-3,4-dienoate.
What is the SMILES notation for methyl 2-(4-methoxyphenyl)-2-phenylsulfanylpenta-3,4-dienoate?
The canonical SMILES for methyl 2-(4-methoxyphenyl)-2-phenylsulfanylpenta-3,4-dienoate is C=C=CC(Sc1ccccc1)(C(=O)OC)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-(4-methoxyphenyl)-2-phenylsulfanylpenta-3,4-dienoate?
The InChIKey is OVGWHYWWLBMNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3S/c1-4-14-19(18(20)22-3,23-17-8-6-5-7-9-17)15-10-12-16(21-2)13-11-15/h5-14H,1H2,2-3H3.
What are the key properties of methyl 2-(4-methoxyphenyl)-2-phenylsulfanylpenta-3,4-dienoate?
methyl 2-(4-methoxyphenyl)-2-phenylsulfanylpenta-3,4-dienoate has a molecular weight of 326.42 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxyphenyl)-2-phenylsulfanylpenta-3,4-dienoate is sourced from PubChem (CID 23248186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).