N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C16H15NO3 — CID 64794939

IUPACN-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)C2Cc3ccccc3O2)cc1O
InChIInChI=1S/C16H15NO3/c1-10-6-7-12(9-13(10)18)17-16(19)15-8-11-4-2-3-5-14(11)20-15/h2-7,9,15,18H,8H2,1H3,(H,17,19)
InChIKeyIECUAJSYFGHUNN-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.64
Rot. Bonds2

About N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 64794939) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID64794939
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC NameN-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)C2Cc3ccccc3O2)cc1O
InChIInChI=1S/C16H15NO3/c1-10-6-7-12(9-13(10)18)17-16(19)15-8-11-4-2-3-5-14(11)20-15/h2-7,9,15,18H,8H2,1H3,(H,17,19)
InChIKeyIECUAJSYFGHUNN-UHFFFAOYSA-N
XLogP2.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 64794939) is N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is Cc1ccc(NC(=O)C2Cc3ccccc3O2)cc1O.
What is the InChIKey of N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is IECUAJSYFGHUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-10-6-7-12(9-13(10)18)17-16(19)15-8-11-4-2-3-5-14(11)20-15/h2-7,9,15,18H,8H2,1H3,(H,17,19).
What are the key properties of N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 64794939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).