1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-phenylurea

C23H20N2O4 — CID 14971292

IUPAC1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1
InChIInChI=1S/C23H20N2O4/c26-23(24-19-7-3-1-4-8-19)25(27)15-17-13-18-14-21(11-12-22(18)28-16-17)29-20-9-5-2-6-10-20/h1-14,27H,15-16H2,(H,24,26)
InChIKeyQKSNUAVDJOQQGK-UHFFFAOYSA-N
MW388.42 g/mol
LogP5.18
Rot. Bonds5

About 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-phenylurea

1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-phenylurea (PubChem CID 14971292) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-phenylurea
PubChem CID14971292
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1
InChIInChI=1S/C23H20N2O4/c26-23(24-19-7-3-1-4-8-19)25(27)15-17-13-18-14-21(11-12-22(18)28-16-17)29-20-9-5-2-6-10-20/h1-14,27H,15-16H2,(H,24,26)
InChIKeyQKSNUAVDJOQQGK-UHFFFAOYSA-N
XLogP5.18
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.42
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-phenylurea?
The IUPAC name of 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-phenylurea (CID 14971292) is 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-phenylurea.
What is the SMILES notation for 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-phenylurea?
The canonical SMILES for 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-phenylurea is O=C(Nc1ccccc1)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1.
What is the InChIKey of 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-phenylurea?
The InChIKey is QKSNUAVDJOQQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c26-23(24-19-7-3-1-4-8-19)25(27)15-17-13-18-14-21(11-12-22(18)28-16-17)29-20-9-5-2-6-10-20/h1-14,27H,15-16H2,(H,24,26).
What are the key properties of 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-phenylurea?
1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-phenylurea has a molecular weight of 388.42 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-phenylurea is sourced from PubChem (CID 14971292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).