1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)urea

C16H16N2O4 — CID 897852

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H16N2O4/c1-20-13-5-3-2-4-12(13)18-16(19)17-11-6-7-14-15(10-11)22-9-8-21-14/h2-7,10H,8-9H2,1H3,(H2,17,18,19)
InChIKeyROABLYBDCVAXSU-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.11
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)urea

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)urea (PubChem CID 897852) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)urea
PubChem CID897852
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H16N2O4/c1-20-13-5-3-2-4-12(13)18-16(19)17-11-6-7-14-15(10-11)22-9-8-21-14/h2-7,10H,8-9H2,1H3,(H2,17,18,19)
InChIKeyROABLYBDCVAXSU-UHFFFAOYSA-N
XLogP3.11
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)urea (CID 897852) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)urea?
The InChIKey is ROABLYBDCVAXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-20-13-5-3-2-4-12(13)18-16(19)17-11-6-7-14-15(10-11)22-9-8-21-14/h2-7,10H,8-9H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)urea?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)urea has a molecular weight of 300.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 897852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).