2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethylcarbamic acid

C12H15NO4 — CID 68730092

IUPAC2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethylcarbamic acid
SMILESCOc1ccc2c(c1)C(CCNC(=O)O)CO2
InChIInChI=1S/C12H15NO4/c1-16-9-2-3-11-10(6-9)8(7-17-11)4-5-13-12(14)15/h2-3,6,8,13H,4-5,7H2,1H3,(H,14,15)
InChIKeyKPOQQPXFSKJJSE-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.83
Rot. Bonds4

About 2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethylcarbamic acid

2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethylcarbamic acid (PubChem CID 68730092) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethylcarbamic acid
PubChem CID68730092
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethylcarbamic acid
SMILESCOc1ccc2c(c1)C(CCNC(=O)O)CO2
InChIInChI=1S/C12H15NO4/c1-16-9-2-3-11-10(6-9)8(7-17-11)4-5-13-12(14)15/h2-3,6,8,13H,4-5,7H2,1H3,(H,14,15)
InChIKeyKPOQQPXFSKJJSE-UHFFFAOYSA-N
XLogP1.83
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129361652
1-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)propan-2-one
CID 117202321
O-[(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine
CID 117202333
5-methoxy-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 134850979
1-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-methylpropan-2-amine
CID 117202343
N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-(4-methoxyphenyl)-4-oxobutanamide
CID 18182554
N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide
CID 142703369
ethyl 2-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)acetate
CID 14330292
5-methoxy-3-methyl-2,3-dihydro-1-benzofuran
CID 102492939
3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
CID 119350891
N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-methylpropanamide
CID 54317020
1-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine
CID 83753180

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethylcarbamic acid?
The IUPAC name of 2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethylcarbamic acid (CID 68730092) is 2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethylcarbamic acid?
The canonical SMILES for 2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethylcarbamic acid is COc1ccc2c(c1)C(CCNC(=O)O)CO2.
What is the InChIKey of 2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethylcarbamic acid?
The InChIKey is KPOQQPXFSKJJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-16-9-2-3-11-10(6-9)8(7-17-11)4-5-13-12(14)15/h2-3,6,8,13H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethylcarbamic acid?
2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethylcarbamic acid has a molecular weight of 237.25 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethylcarbamic acid is sourced from PubChem (CID 68730092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).