1-(4-hydroxyphenyl)-1-methyl-3-(phenoxymethyl)urea

C15H16N2O3 — CID 108888950

IUPAC1-(4-hydroxyphenyl)-1-methyl-3-(phenoxymethyl)urea
SMILESCN(C(=O)NCOc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C15H16N2O3/c1-17(12-7-9-13(18)10-8-12)15(19)16-11-20-14-5-3-2-4-6-14/h2-10,18H,11H2,1H3,(H,16,19)
InChIKeyFTZLUIFVPHOWSS-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.57
Rot. Bonds4

About 1-(4-hydroxyphenyl)-1-methyl-3-(phenoxymethyl)urea

1-(4-hydroxyphenyl)-1-methyl-3-(phenoxymethyl)urea (PubChem CID 108888950) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-1-methyl-3-(phenoxymethyl)urea.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-1-methyl-3-(phenoxymethyl)urea
PubChem CID108888950
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-(4-hydroxyphenyl)-1-methyl-3-(phenoxymethyl)urea
SMILESCN(C(=O)NCOc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C15H16N2O3/c1-17(12-7-9-13(18)10-8-12)15(19)16-11-20-14-5-3-2-4-6-14/h2-10,18H,11H2,1H3,(H,16,19)
InChIKeyFTZLUIFVPHOWSS-UHFFFAOYSA-N
XLogP2.57
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-methyl-1-phenylurea
CID 108877992
1-benzyl-1-methyl-3-(phenoxymethyl)urea
CID 108888867
3-[3-(2,6-dimethylphenoxy)propyl]-1-(4-hydroxyphenyl)-1-methylurea
CID 108881752
1-benzyl-3-(phenoxymethyl)-1-phenylurea
CID 108888948
1-(4-hydroxyphenyl)-1,3-dimethylurea
CID 115281222
1-[[[(4-hydroxyphenyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 107736885
3-[(2-tert-butyl-4-methylphenoxy)methyl]-1-methyl-1-phenylurea
CID 108877619
1-(4-hydroxyphenyl)-1-methyl-3-[(E)-2-phenylethenyl]urea
CID 108903288
1-methyl-1-phenyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974328
2-[[(4-hydroxyphenyl)-methylcarbamoyl]amino]butanedioic acid
CID 107736952
N-methyl-5-(phenoxymethyl)-N-phenylfuran-2-carboxamide
CID 31529020
N-[4-[2-[2-[2-[4-[benzoyl(methyl)amino]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-N-methylbenzamide
CID 59720906

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-1-methyl-3-(phenoxymethyl)urea?
The IUPAC name of 1-(4-hydroxyphenyl)-1-methyl-3-(phenoxymethyl)urea (CID 108888950) is 1-(4-hydroxyphenyl)-1-methyl-3-(phenoxymethyl)urea.
What is the SMILES notation for 1-(4-hydroxyphenyl)-1-methyl-3-(phenoxymethyl)urea?
The canonical SMILES for 1-(4-hydroxyphenyl)-1-methyl-3-(phenoxymethyl)urea is CN(C(=O)NCOc1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-1-methyl-3-(phenoxymethyl)urea?
The InChIKey is FTZLUIFVPHOWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-17(12-7-9-13(18)10-8-12)15(19)16-11-20-14-5-3-2-4-6-14/h2-10,18H,11H2,1H3,(H,16,19).
What are the key properties of 1-(4-hydroxyphenyl)-1-methyl-3-(phenoxymethyl)urea?
1-(4-hydroxyphenyl)-1-methyl-3-(phenoxymethyl)urea has a molecular weight of 272.30 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-1-methyl-3-(phenoxymethyl)urea is sourced from PubChem (CID 108888950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).