2,3-dihydrobenzo[g][1]benzofuran-2-ylmethylcarbamic acid

C14H13NO3 — CID 68583866

IUPAC2,3-dihydrobenzo[g][1]benzofuran-2-ylmethylcarbamic acid
SMILESO=C(O)NCC1Cc2ccc3ccccc3c2O1
InChIInChI=1S/C14H13NO3/c16-14(17)15-8-11-7-10-6-5-9-3-1-2-4-12(9)13(10)18-11/h1-6,11,15H,7-8H2,(H,16,17)
InChIKeyKAXWYDZLGXSALK-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.41
Rot. Bonds2

About 2,3-dihydrobenzo[g][1]benzofuran-2-ylmethylcarbamic acid

2,3-dihydrobenzo[g][1]benzofuran-2-ylmethylcarbamic acid (PubChem CID 68583866) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2,3-dihydrobenzo[g][1]benzofuran-2-ylmethylcarbamic acid.

Molecular Properties

Compound Name2,3-dihydrobenzo[g][1]benzofuran-2-ylmethylcarbamic acid
PubChem CID68583866
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2,3-dihydrobenzo[g][1]benzofuran-2-ylmethylcarbamic acid
SMILESO=C(O)NCC1Cc2ccc3ccccc3c2O1
InChIInChI=1S/C14H13NO3/c16-14(17)15-8-11-7-10-6-5-9-3-1-2-4-12(9)13(10)18-11/h1-6,11,15H,7-8H2,(H,16,17)
InChIKeyKAXWYDZLGXSALK-UHFFFAOYSA-N
XLogP2.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrobenzo[g][1]benzofuran-2-ylmethylcarbamic acid?
The IUPAC name of 2,3-dihydrobenzo[g][1]benzofuran-2-ylmethylcarbamic acid (CID 68583866) is 2,3-dihydrobenzo[g][1]benzofuran-2-ylmethylcarbamic acid.
What is the SMILES notation for 2,3-dihydrobenzo[g][1]benzofuran-2-ylmethylcarbamic acid?
The canonical SMILES for 2,3-dihydrobenzo[g][1]benzofuran-2-ylmethylcarbamic acid is O=C(O)NCC1Cc2ccc3ccccc3c2O1.
What is the InChIKey of 2,3-dihydrobenzo[g][1]benzofuran-2-ylmethylcarbamic acid?
The InChIKey is KAXWYDZLGXSALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c16-14(17)15-8-11-7-10-6-5-9-3-1-2-4-12(9)13(10)18-11/h1-6,11,15H,7-8H2,(H,16,17).
What are the key properties of 2,3-dihydrobenzo[g][1]benzofuran-2-ylmethylcarbamic acid?
2,3-dihydrobenzo[g][1]benzofuran-2-ylmethylcarbamic acid has a molecular weight of 243.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrobenzo[g][1]benzofuran-2-ylmethylcarbamic acid is sourced from PubChem (CID 68583866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).