(3-methoxyphenyl)methylurea

C9H12N2O2 — CID 10726060

IUPAC(3-methoxyphenyl)methylurea
SMILESCOc1cccc(CNC(N)=O)c1
InChIInChI=1S/C9H12N2O2/c1-13-8-4-2-3-7(5-8)6-11-9(10)12/h2-5H,6H2,1H3,(H3,10,11,12)
InChIKeyUGFOMXLZTBYCFL-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.86
Rot. Bonds3

About (3-methoxyphenyl)methylurea

(3-methoxyphenyl)methylurea (PubChem CID 10726060) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (3-methoxyphenyl)methylurea.

Molecular Properties

Compound Name(3-methoxyphenyl)methylurea
PubChem CID10726060
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(3-methoxyphenyl)methylurea
SMILESCOc1cccc(CNC(N)=O)c1
InChIInChI=1S/C9H12N2O2/c1-13-8-4-2-3-7(5-8)6-11-9(10)12/h2-5H,6H2,1H3,(H3,10,11,12)
InChIKeyUGFOMXLZTBYCFL-UHFFFAOYSA-N
XLogP0.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methylurea?
The IUPAC name of (3-methoxyphenyl)methylurea (CID 10726060) is (3-methoxyphenyl)methylurea.
What is the SMILES notation for (3-methoxyphenyl)methylurea?
The canonical SMILES for (3-methoxyphenyl)methylurea is COc1cccc(CNC(N)=O)c1.
What is the InChIKey of (3-methoxyphenyl)methylurea?
The InChIKey is UGFOMXLZTBYCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-13-8-4-2-3-7(5-8)6-11-9(10)12/h2-5H,6H2,1H3,(H3,10,11,12).
What are the key properties of (3-methoxyphenyl)methylurea?
(3-methoxyphenyl)methylurea has a molecular weight of 180.21 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methylurea is sourced from PubChem (CID 10726060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).