1-hydroxy-1-[1-(6-phenoxy-2H-chromen-3-yl)ethyl]urea

C18H18N2O4 — CID 14971314

IUPAC1-hydroxy-1-[1-(6-phenoxy-2H-chromen-3-yl)ethyl]urea
SMILESCC(C1=Cc2cc(Oc3ccccc3)ccc2OC1)N(O)C(N)=O
InChIInChI=1S/C18H18N2O4/c1-12(20(22)18(19)21)14-9-13-10-16(7-8-17(13)23-11-14)24-15-5-3-2-4-6-15/h2-10,12,22H,11H2,1H3,(H2,19,21)
InChIKeyPXWSVVCWUZNEOL-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.41
Rot. Bonds4

About 1-hydroxy-1-[1-(6-phenoxy-2H-chromen-3-yl)ethyl]urea

1-hydroxy-1-[1-(6-phenoxy-2H-chromen-3-yl)ethyl]urea (PubChem CID 14971314) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 1-hydroxy-1-[1-(6-phenoxy-2H-chromen-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[1-(6-phenoxy-2H-chromen-3-yl)ethyl]urea
PubChem CID14971314
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name1-hydroxy-1-[1-(6-phenoxy-2H-chromen-3-yl)ethyl]urea
SMILESCC(C1=Cc2cc(Oc3ccccc3)ccc2OC1)N(O)C(N)=O
InChIInChI=1S/C18H18N2O4/c1-12(20(22)18(19)21)14-9-13-10-16(7-8-17(13)23-11-14)24-15-5-3-2-4-6-15/h2-10,12,22H,11H2,1H3,(H2,19,21)
InChIKeyPXWSVVCWUZNEOL-UHFFFAOYSA-N
XLogP3.41
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.41
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-[1-(6-phenoxy-2H-chromen-3-yl)ethyl]urea?
The IUPAC name of 1-hydroxy-1-[1-(6-phenoxy-2H-chromen-3-yl)ethyl]urea (CID 14971314) is 1-hydroxy-1-[1-(6-phenoxy-2H-chromen-3-yl)ethyl]urea.
What is the SMILES notation for 1-hydroxy-1-[1-(6-phenoxy-2H-chromen-3-yl)ethyl]urea?
The canonical SMILES for 1-hydroxy-1-[1-(6-phenoxy-2H-chromen-3-yl)ethyl]urea is CC(C1=Cc2cc(Oc3ccccc3)ccc2OC1)N(O)C(N)=O.
What is the InChIKey of 1-hydroxy-1-[1-(6-phenoxy-2H-chromen-3-yl)ethyl]urea?
The InChIKey is PXWSVVCWUZNEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12(20(22)18(19)21)14-9-13-10-16(7-8-17(13)23-11-14)24-15-5-3-2-4-6-15/h2-10,12,22H,11H2,1H3,(H2,19,21).
What are the key properties of 1-hydroxy-1-[1-(6-phenoxy-2H-chromen-3-yl)ethyl]urea?
1-hydroxy-1-[1-(6-phenoxy-2H-chromen-3-yl)ethyl]urea has a molecular weight of 326.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[1-(6-phenoxy-2H-chromen-3-yl)ethyl]urea is sourced from PubChem (CID 14971314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).