methyl 5-phenyl-3-phenylmethoxythiophene-2-carboxylate

C19H16O3S — CID 14154188

IUPACmethyl 5-phenyl-3-phenylmethoxythiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C19H16O3S/c1-21-19(20)18-16(22-13-14-8-4-2-5-9-14)12-17(23-18)15-10-6-3-7-11-15/h2-12H,13H2,1H3
InChIKeyDSWPMHMNWQSRGJ-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.78
Rot. Bonds5

About methyl 5-phenyl-3-phenylmethoxythiophene-2-carboxylate

methyl 5-phenyl-3-phenylmethoxythiophene-2-carboxylate (PubChem CID 14154188) has the molecular formula C19H16O3S and a molecular weight of 324.40 g/mol. Its IUPAC name is methyl 5-phenyl-3-phenylmethoxythiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-phenyl-3-phenylmethoxythiophene-2-carboxylate
PubChem CID14154188
Molecular FormulaC19H16O3S
Molecular Weight324.40 g/mol
Exact Mass324.08
IUPAC Namemethyl 5-phenyl-3-phenylmethoxythiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C19H16O3S/c1-21-19(20)18-16(22-13-14-8-4-2-5-9-14)12-17(23-18)15-10-6-3-7-11-15/h2-12H,13H2,1H3
InChIKeyDSWPMHMNWQSRGJ-UHFFFAOYSA-N
XLogP4.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-5-phenyl-3-phenylmethoxythiophene-2-carboxamide
CID 78888376
methyl 5-imidazo[1,2-a]pyridin-3-yl-3-phenylmethoxythiophene-2-carboxylate
CID 67429074
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-3-phenylmethoxythiophen-2-yl)methanone
CID 126790939
methyl 3-[(3-aminophenyl)methoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxylate
CID 67432088
5-methylperoxysulfanyl-3-phenylmethoxythiophene-2-carboxylic acid
CID 54138610
phenyl 3-methoxy-5-phenylthiophene-2-carboxylate
CID 139631603
methyl 1-phenyl-4-phenylmethoxynaphthalene-2-carboxylate
CID 147669047
sodium 2-methoxycarbonyl-5-phenylthiophene-3-sulfinate
CID 165455794
methyl 3-[[2-(4-methoxyphenyl)acetyl]amino]-5-phenylthiophene-2-carboxylate
CID 8718962
2-[2-(2-methoxycarbonyl-5-phenylthiophen-3-yl)acetyl]benzoic acid
CID 58390695
methyl 3-(1-hydroxypropan-2-ylamino)-5-phenylthiophene-2-carboxylate
CID 59752386
methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate
CID 11414943

Frequently Asked Questions

What is the IUPAC name of methyl 5-phenyl-3-phenylmethoxythiophene-2-carboxylate?
The IUPAC name of methyl 5-phenyl-3-phenylmethoxythiophene-2-carboxylate (CID 14154188) is methyl 5-phenyl-3-phenylmethoxythiophene-2-carboxylate.
What is the SMILES notation for methyl 5-phenyl-3-phenylmethoxythiophene-2-carboxylate?
The canonical SMILES for methyl 5-phenyl-3-phenylmethoxythiophene-2-carboxylate is COC(=O)c1sc(-c2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of methyl 5-phenyl-3-phenylmethoxythiophene-2-carboxylate?
The InChIKey is DSWPMHMNWQSRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3S/c1-21-19(20)18-16(22-13-14-8-4-2-5-9-14)12-17(23-18)15-10-6-3-7-11-15/h2-12H,13H2,1H3.
What are the key properties of methyl 5-phenyl-3-phenylmethoxythiophene-2-carboxylate?
methyl 5-phenyl-3-phenylmethoxythiophene-2-carboxylate has a molecular weight of 324.40 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-phenyl-3-phenylmethoxythiophene-2-carboxylate is sourced from PubChem (CID 14154188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).