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

C20H20N2O4 — CID 14971294

IUPAC1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1
InChIInChI=1S/C20H20N2O4/c1-2-10-21-20(23)22(24)13-15-11-16-12-18(8-9-19(16)25-14-15)26-17-6-4-3-5-7-17/h2-9,11-12,24H,1,10,13-14H2,(H,21,23)
InChIKeyKFNDCACNUFPHGC-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.84
Rot. Bonds6

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

1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-prop-2-enylurea (PubChem CID 14971294) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-prop-2-enylurea.

Molecular Properties

Compound Name1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-prop-2-enylurea
PubChem CID14971294
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1
InChIInChI=1S/C20H20N2O4/c1-2-10-21-20(23)22(24)13-15-11-16-12-18(8-9-19(16)25-14-15)26-17-6-4-3-5-7-17/h2-9,11-12,24H,1,10,13-14H2,(H,21,23)
InChIKeyKFNDCACNUFPHGC-UHFFFAOYSA-N
XLogP3.84
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-prop-2-enylurea?
The IUPAC name of 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-prop-2-enylurea (CID 14971294) is 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-prop-2-enylurea.
What is the SMILES notation for 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-prop-2-enylurea?
The canonical SMILES for 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-prop-2-enylurea is C=CCNC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1.
What is the InChIKey of 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-prop-2-enylurea?
The InChIKey is KFNDCACNUFPHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-2-10-21-20(23)22(24)13-15-11-16-12-18(8-9-19(16)25-14-15)26-17-6-4-3-5-7-17/h2-9,11-12,24H,1,10,13-14H2,(H,21,23).
What are the key properties of 1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-prop-2-enylurea?
1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]-3-prop-2-enylurea has a molecular weight of 352.39 g/mol, XLogP of 3.84, 6 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-prop-2-enylurea is sourced from PubChem (CID 14971294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).