methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate

C10H10O3 — CID 95340884

IUPACmethyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
SMILESCOC(=O)[C@@H]1COc2ccccc21
InChIInChI=1S/C10H10O3/c1-12-10(11)8-6-13-9-5-3-2-4-7(8)9/h2-5,8H,6H2,1H3/t8-/m1/s1
InChIKeyAIIWAGYJGJZMAB-MRVPVSSYSA-N
MW178.19 g/mol
LogP1.34
Rot. Bonds1

About methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate

methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate (PubChem CID 95340884) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
PubChem CID95340884
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Namemethyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
SMILESCOC(=O)[C@@H]1COc2ccccc21
InChIInChI=1S/C10H10O3/c1-12-10(11)8-6-13-9-5-3-2-4-7(8)9/h2-5,8H,6H2,1H3/t8-/m1/s1
InChIKeyAIIWAGYJGJZMAB-MRVPVSSYSA-N
XLogP1.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
methyl 6-bromo-2,3-dihydro-1-benzofuran-3-carboxylate
CID 146246442
butyl 2,3-dihydro-1-benzofuran-3-carboxylate
CID 78960804
methyl 2-bromo-3-(2,3-dihydro-1-benzofuran-3-carbonylamino)propanoate
CID 103492669
2,3-dihydro-1-benzofuran-3-yl-(3-methoxythiophen-2-yl)methanone
CID 81118525
methyl 2-[5-(2,3-dihydro-1-benzofuran-3-carbonyl)thiophen-2-yl]acetate
CID 82886046
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103840148
1-(2,3-dihydro-1-benzofuran-3-yl)-4-methylpent-4-en-1-one
CID 114473710
2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methanone
CID 102651090
N-(4-amino-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 106152017
N-(1-amino-2-cyclopropylpropan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 81486749
N-(4-chlorobutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 83179536

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate?
The IUPAC name of methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate (CID 95340884) is methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate.
What is the SMILES notation for methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate?
The canonical SMILES for methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate is COC(=O)[C@@H]1COc2ccccc21.
What is the InChIKey of methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate?
The InChIKey is AIIWAGYJGJZMAB-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10O3/c1-12-10(11)8-6-13-9-5-3-2-4-7(8)9/h2-5,8H,6H2,1H3/t8-/m1/s1.
What are the key properties of methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate?
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate has a molecular weight of 178.19 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate is sourced from PubChem (CID 95340884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).