N-(2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C15H13NO4 — CID 47455792

IUPACN-(2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESO=C(Nc1ccccc1O)c1cccc2c1OCCO2
InChIInChI=1S/C15H13NO4/c17-12-6-2-1-5-11(12)16-15(18)10-4-3-7-13-14(10)20-9-8-19-13/h1-7,17H,8-9H2,(H,16,18)
InChIKeyQKPONNMZLDPOPD-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.42
Rot. Bonds2

About N-(2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-(2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 47455792) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID47455792
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC NameN-(2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESO=C(Nc1ccccc1O)c1cccc2c1OCCO2
InChIInChI=1S/C15H13NO4/c17-12-6-2-1-5-11(12)16-15(18)10-4-3-7-13-14(10)20-9-8-19-13/h1-7,17H,8-9H2,(H,16,18)
InChIKeyQKPONNMZLDPOPD-UHFFFAOYSA-N
XLogP2.42
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 47455792) is N-(2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is O=C(Nc1ccccc1O)c1cccc2c1OCCO2.
What is the InChIKey of N-(2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is QKPONNMZLDPOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c17-12-6-2-1-5-11(12)16-15(18)10-4-3-7-13-14(10)20-9-8-19-13/h1-7,17H,8-9H2,(H,16,18).
What are the key properties of N-(2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-(2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 271.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 47455792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).