2-hydroxyethyl 7-methyl-2,3-dihydro-1-benzofuran-6-carboxylate

C12H14O4 — CID 154708452

IUPAC2-hydroxyethyl 7-methyl-2,3-dihydro-1-benzofuran-6-carboxylate
SMILESCc1c(C(=O)OCCO)ccc2c1OCC2
InChIInChI=1S/C12H14O4/c1-8-10(12(14)16-7-5-13)3-2-9-4-6-15-11(8)9/h2-3,13H,4-7H2,1H3
InChIKeyVNHUETQOOMIKJC-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.08
Rot. Bonds3

About 2-hydroxyethyl 7-methyl-2,3-dihydro-1-benzofuran-6-carboxylate

2-hydroxyethyl 7-methyl-2,3-dihydro-1-benzofuran-6-carboxylate (PubChem CID 154708452) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-hydroxyethyl 7-methyl-2,3-dihydro-1-benzofuran-6-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 7-methyl-2,3-dihydro-1-benzofuran-6-carboxylate
PubChem CID154708452
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name2-hydroxyethyl 7-methyl-2,3-dihydro-1-benzofuran-6-carboxylate
SMILESCc1c(C(=O)OCCO)ccc2c1OCC2
InChIInChI=1S/C12H14O4/c1-8-10(12(14)16-7-5-13)3-2-9-4-6-15-11(8)9/h2-3,13H,4-7H2,1H3
InChIKeyVNHUETQOOMIKJC-UHFFFAOYSA-N
XLogP1.08
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-hydroxy-2,3-dihydro-1-benzofuran-7-carboxylate
CID 174245310
ethyl 2-(2,3-dihydro-1-benzofuran-7-yl)acetate
CID 114746699
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone
CID 114744072
ethyl 2-(2,3-dihydro-1-benzofuran-7-ylsulfanylmethyl)-3,4-difluorobenzoate
CID 151291689
2-hydroxyethyl 2,4,5-trimethoxybenzoate
CID 35514388
[(2E)-2-ethenylpenta-2,4-dienyl] 6-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 142933069
propyl 2,3-dihydro-1,4-benzodioxine-5-carboxylate
CID 43614674
ethyl 5-(2,3-dihydroxypropylamino)-2,3-dihydro-1,4-benzodioxine-8-carboxylate
CID 168596818
2-hydroxyethyl 3-amino-5-bromo-2-methylbenzoate
CID 107873761
1-(2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-1-one
CID 105135051
ethyl 9-amino-2,3-dihydro-1-benzoxepine-4-carboxylate
CID 18319514
2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone
CID 114026900

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 7-methyl-2,3-dihydro-1-benzofuran-6-carboxylate?
The IUPAC name of 2-hydroxyethyl 7-methyl-2,3-dihydro-1-benzofuran-6-carboxylate (CID 154708452) is 2-hydroxyethyl 7-methyl-2,3-dihydro-1-benzofuran-6-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 7-methyl-2,3-dihydro-1-benzofuran-6-carboxylate?
The canonical SMILES for 2-hydroxyethyl 7-methyl-2,3-dihydro-1-benzofuran-6-carboxylate is Cc1c(C(=O)OCCO)ccc2c1OCC2.
What is the InChIKey of 2-hydroxyethyl 7-methyl-2,3-dihydro-1-benzofuran-6-carboxylate?
The InChIKey is VNHUETQOOMIKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-8-10(12(14)16-7-5-13)3-2-9-4-6-15-11(8)9/h2-3,13H,4-7H2,1H3.
What are the key properties of 2-hydroxyethyl 7-methyl-2,3-dihydro-1-benzofuran-6-carboxylate?
2-hydroxyethyl 7-methyl-2,3-dihydro-1-benzofuran-6-carboxylate has a molecular weight of 222.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 7-methyl-2,3-dihydro-1-benzofuran-6-carboxylate is sourced from PubChem (CID 154708452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).