1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea

C14H12N2O4 — CID 14545057

IUPAC1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea
SMILESO=C(Nc1ccc(O)cc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H12N2O4/c17-11-4-1-9(2-5-11)15-14(18)16-10-3-6-12-13(7-10)20-8-19-12/h1-7,17H,8H2,(H2,15,16,18)
InChIKeyQXEWFOHLVCPOKJ-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.76
Rot. Bonds2

About 1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea

1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea (PubChem CID 14545057) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea
PubChem CID14545057
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea
SMILESO=C(Nc1ccc(O)cc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H12N2O4/c17-11-4-1-9(2-5-11)15-14(18)16-10-3-6-12-13(7-10)20-8-19-12/h1-7,17H,8H2,(H2,15,16,18)
InChIKeyQXEWFOHLVCPOKJ-UHFFFAOYSA-N
XLogP2.76
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-(3-hydroxyphenyl)urea
CID 108893703
1-(1,3-benzodioxol-5-yl)-3-(4-cyanophenyl)urea
CID 46860052
1-(1,3-benzodioxol-5-yl)-3-(4-ethylphenyl)urea
CID 6466543
1-(1,3-benzodioxol-5-yl)-3-(4-methylsulfanylphenyl)urea
CID 46860083
4-(1,3-benzodioxol-5-ylcarbamoylamino)benzenesulfonic acid
CID 108893705
1-(1,3-benzodioxol-5-yl)-3-(3,4-difluorophenyl)urea
CID 6468432
1-(1,3-benzodioxol-5-yl)-3-(4-fluoroanilino)urea
CID 10589488
2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 23018483
1-(1,3-benzodioxol-5-yl)-3-(2-oxo-1,3-dihydroinden-5-yl)urea
CID 164948255
1-(1,3-benzodioxol-5-yl)-3-(4-chloro-2-fluorophenyl)urea
CID 6465931
1-(1,3-benzodioxol-5-yl)-3-propylurea
CID 58748931
1-(1,3-benzodioxol-5-yl)-3-(5-chloro-2-fluorophenyl)urea
CID 46860085

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea (CID 14545057) is 1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea is O=C(Nc1ccc(O)cc1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea?
The InChIKey is QXEWFOHLVCPOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-11-4-1-9(2-5-11)15-14(18)16-10-3-6-12-13(7-10)20-8-19-12/h1-7,17H,8H2,(H2,15,16,18).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea?
1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea has a molecular weight of 272.26 g/mol, XLogP of 2.76, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea is sourced from PubChem (CID 14545057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).