N-(4-hydroxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide

C20H17NO3 — CID 86294767

IUPACN-(4-hydroxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1CCc2ccc3ccccc3c2O1
InChIInChI=1S/C20H17NO3/c22-16-10-8-15(9-11-16)21-20(23)18-12-7-14-6-5-13-3-1-2-4-17(13)19(14)24-18/h1-6,8-11,18,22H,7,12H2,(H,21,23)
InChIKeyOTJRWDFXPIVNGC-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.88
Rot. Bonds2

About N-(4-hydroxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide

N-(4-hydroxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide (PubChem CID 86294767) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide
PubChem CID86294767
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC NameN-(4-hydroxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1CCc2ccc3ccccc3c2O1
InChIInChI=1S/C20H17NO3/c22-16-10-8-15(9-11-16)21-20(23)18-12-7-14-6-5-13-3-1-2-4-17(13)19(14)24-18/h1-6,8-11,18,22H,7,12H2,(H,21,23)
InChIKeyOTJRWDFXPIVNGC-UHFFFAOYSA-N
XLogP3.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide (CID 86294767) is N-(4-hydroxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide is O=C(Nc1ccc(O)cc1)C1CCc2ccc3ccccc3c2O1.
What is the InChIKey of N-(4-hydroxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide?
The InChIKey is OTJRWDFXPIVNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c22-16-10-8-15(9-11-16)21-20(23)18-12-7-14-6-5-13-3-1-2-4-17(13)19(14)24-18/h1-6,8-11,18,22H,7,12H2,(H,21,23).
What are the key properties of N-(4-hydroxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide?
N-(4-hydroxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-3,4-dihydro-2H-benzo[h]chromene-2-carboxamide is sourced from PubChem (CID 86294767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).