methyl 3-(2,3-dihydro-1-benzofuran-5-yl)benzoate

C16H14O3 — CID 4131960

IUPACmethyl 3-(2,3-dihydro-1-benzofuran-5-yl)benzoate
SMILESCOC(=O)c1cccc(-c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C16H14O3/c1-18-16(17)14-4-2-3-11(10-14)12-5-6-15-13(9-12)7-8-19-15/h2-6,9-10H,7-8H2,1H3
InChIKeyVHDRSTUSOPQBGZ-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.08
Rot. Bonds2

About methyl 3-(2,3-dihydro-1-benzofuran-5-yl)benzoate

methyl 3-(2,3-dihydro-1-benzofuran-5-yl)benzoate (PubChem CID 4131960) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is methyl 3-(2,3-dihydro-1-benzofuran-5-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(2,3-dihydro-1-benzofuran-5-yl)benzoate
PubChem CID4131960
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Namemethyl 3-(2,3-dihydro-1-benzofuran-5-yl)benzoate
SMILESCOC(=O)c1cccc(-c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C16H14O3/c1-18-16(17)14-4-2-3-11(10-14)12-5-6-15-13(9-12)7-8-19-15/h2-6,9-10H,7-8H2,1H3
InChIKeyVHDRSTUSOPQBGZ-UHFFFAOYSA-N
XLogP3.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(1,3-benzodioxol-5-yl)benzoate
CID 50888522
methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate
CID 110693467
1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone
CID 54910642
methyl 3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]benzoate
CID 9127129
methyl 3-[2-[[4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobutanoyl]amino]-6-phenyl-4-pyridinyl]benzoate
CID 68980144
methyl 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylate
CID 116966357
(2-methoxyphenyl) 2,3-dihydro-1-benzofuran-5-carboxylate
CID 47160994
methyl 3-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-5-carbonyl]sulfamoylmethyl]benzoate
CID 166331691
dimethyl 4-(3-methoxycarbonylphenyl)benzene-1,2-dicarboxylate
CID 11404679
methyl 4-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)benzoate;hydrochloride
CID 66820482
methyl 9-methyl-6,7-dihydrobenzo[d][1]benzoxepine-2-carboxylate
CID 118654720
phenyl 2,3-dihydro-1-benzofuran-5-carboxylate
CID 2821719

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,3-dihydro-1-benzofuran-5-yl)benzoate?
The IUPAC name of methyl 3-(2,3-dihydro-1-benzofuran-5-yl)benzoate (CID 4131960) is methyl 3-(2,3-dihydro-1-benzofuran-5-yl)benzoate.
What is the SMILES notation for methyl 3-(2,3-dihydro-1-benzofuran-5-yl)benzoate?
The canonical SMILES for methyl 3-(2,3-dihydro-1-benzofuran-5-yl)benzoate is COC(=O)c1cccc(-c2ccc3c(c2)CCO3)c1.
What is the InChIKey of methyl 3-(2,3-dihydro-1-benzofuran-5-yl)benzoate?
The InChIKey is VHDRSTUSOPQBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-18-16(17)14-4-2-3-11(10-14)12-5-6-15-13(9-12)7-8-19-15/h2-6,9-10H,7-8H2,1H3.
What are the key properties of methyl 3-(2,3-dihydro-1-benzofuran-5-yl)benzoate?
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)benzoate has a molecular weight of 254.28 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,3-dihydro-1-benzofuran-5-yl)benzoate is sourced from PubChem (CID 4131960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).