ethyl 2-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1]benzofuran-3-carboxylate

C22H20O4 — CID 71813757

IUPACethyl 2-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1]benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OC)cc2)oc2c1CCc1ccccc1-2
InChIInChI=1S/C22H20O4/c1-3-25-22(23)19-18-13-10-14-6-4-5-7-17(14)21(18)26-20(19)15-8-11-16(24-2)12-9-15/h4-9,11-12H,3,10,13H2,1-2H3
InChIKeyFWPMPSZDAQWNRJ-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.90
Rot. Bonds4

About ethyl 2-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1]benzofuran-3-carboxylate

ethyl 2-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1]benzofuran-3-carboxylate (PubChem CID 71813757) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is ethyl 2-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1]benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1]benzofuran-3-carboxylate
PubChem CID71813757
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Nameethyl 2-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1]benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(OC)cc2)oc2c1CCc1ccccc1-2
InChIInChI=1S/C22H20O4/c1-3-25-22(23)19-18-13-10-14-6-4-5-7-17(14)21(18)26-20(19)15-8-11-16(24-2)12-9-15/h4-9,11-12H,3,10,13H2,1-2H3
InChIKeyFWPMPSZDAQWNRJ-UHFFFAOYSA-N
XLogP4.90
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-methoxyphenyl)-4-(4-methylbenzoyl)-5-(4-methylphenyl)furan-3-carboxylate
CID 71489624
ethyl 1-oxo-3-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyran-4-carboxylate
CID 10990596
ethyl 2,4-diamino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidine-5-carboxylate
CID 42612485
ethyl 4,9-dioxo-2-phenylbenzo[f][1]benzofuran-3-carboxylate
CID 822829
ethyl 2-methoxy-4,5-diphenylfuran-3-carboxylate
CID 11056368
ethyl 5-[(4-methoxybenzoyl)amino]-6-oxo-2-phenylpyran-3-carboxylate
CID 1473621
ethyl 4,5-dihydrobenzo[e][1]benzofuran-2-carboxylate
CID 10331966
ethyl 2-(4-methoxyphenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 102584507
ethyl 2-(4-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445125
ethyl 2-(cyclopropanecarbonylamino)-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate
CID 23973069
ethyl 6-methoxy-2-(2-methoxyphenyl)-1-benzofuran-3-carboxylate
CID 90272615
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1]benzofuran-3-carboxylate?
The IUPAC name of ethyl 2-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1]benzofuran-3-carboxylate (CID 71813757) is ethyl 2-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1]benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 2-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1]benzofuran-3-carboxylate?
The canonical SMILES for ethyl 2-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1]benzofuran-3-carboxylate is CCOC(=O)c1c(-c2ccc(OC)cc2)oc2c1CCc1ccccc1-2.
What is the InChIKey of ethyl 2-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1]benzofuran-3-carboxylate?
The InChIKey is FWPMPSZDAQWNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-3-25-22(23)19-18-13-10-14-6-4-5-7-17(14)21(18)26-20(19)15-8-11-16(24-2)12-9-15/h4-9,11-12H,3,10,13H2,1-2H3.
What are the key properties of ethyl 2-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1]benzofuran-3-carboxylate?
ethyl 2-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1]benzofuran-3-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyphenyl)-4,5-dihydrobenzo[g][1]benzofuran-3-carboxylate is sourced from PubChem (CID 71813757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).