1-(2-hydroxyphenyl)-3-(methoxymethyl)urea

C9H12N2O3 — CID 58971826

IUPAC1-(2-hydroxyphenyl)-3-(methoxymethyl)urea
SMILESCOCNC(=O)Nc1ccccc1O
InChIInChI=1S/C9H12N2O3/c1-14-6-10-9(13)11-7-4-2-3-5-8(7)12/h2-5,12H,6H2,1H3,(H2,10,11,13)
InChIKeyKAXIQVPKKZIYAE-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.12
Rot. Bonds3

About 1-(2-hydroxyphenyl)-3-(methoxymethyl)urea

1-(2-hydroxyphenyl)-3-(methoxymethyl)urea (PubChem CID 58971826) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-3-(methoxymethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-3-(methoxymethyl)urea
PubChem CID58971826
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-(2-hydroxyphenyl)-3-(methoxymethyl)urea
SMILESCOCNC(=O)Nc1ccccc1O
InChIInChI=1S/C9H12N2O3/c1-14-6-10-9(13)11-7-4-2-3-5-8(7)12/h2-5,12H,6H2,1H3,(H2,10,11,13)
InChIKeyKAXIQVPKKZIYAE-UHFFFAOYSA-N
XLogP1.12
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(2-hydroxyphenyl)-3-(methoxymethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(methoxymethyl)-3-(2-phenoxyphenyl)urea
CID 110676062
1-(2-hydroxyphenyl)-3-[(2,3,6-trimethylphenoxy)methyl]urea
CID 108880185
1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868159
2-[(2-hydroxyphenyl)carbamoylamino]acetic acid
CID 19894710
1-(2-chloroethyl)-3-(2-hydroxyphenyl)urea
CID 108871425
methyl N-(2-hydroxyphenyl)carbamate
CID 819280
1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871524
3-[(2-hydroxyphenyl)carbamoylamino]propanoic acid
CID 117235776
1-(2,5-dimethylphenyl)-3-(methoxymethyl)urea
CID 110675983
1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxyphenyl)urea
CID 108880931
1-(methoxymethyl)-3-(4-methylphenyl)urea
CID 110675978
1-(2-methoxyphenyl)-3-(phenoxymethyl)urea
CID 108888745

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-3-(methoxymethyl)urea?
The IUPAC name of 1-(2-hydroxyphenyl)-3-(methoxymethyl)urea (CID 58971826) is 1-(2-hydroxyphenyl)-3-(methoxymethyl)urea.
What is the SMILES notation for 1-(2-hydroxyphenyl)-3-(methoxymethyl)urea?
The canonical SMILES for 1-(2-hydroxyphenyl)-3-(methoxymethyl)urea is COCNC(=O)Nc1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-3-(methoxymethyl)urea?
The InChIKey is KAXIQVPKKZIYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-14-6-10-9(13)11-7-4-2-3-5-8(7)12/h2-5,12H,6H2,1H3,(H2,10,11,13).
What are the key properties of 1-(2-hydroxyphenyl)-3-(methoxymethyl)urea?
1-(2-hydroxyphenyl)-3-(methoxymethyl)urea has a molecular weight of 196.21 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-3-(methoxymethyl)urea is sourced from PubChem (CID 58971826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).