1-[(2,3-dimethylphenoxy)methyl]-3-(4-hydroxy-2-methylphenyl)urea

C17H20N2O3 — CID 108878288

IUPAC1-[(2,3-dimethylphenoxy)methyl]-3-(4-hydroxy-2-methylphenyl)urea
SMILESCc1cc(O)ccc1NC(=O)NCOc1cccc(C)c1C
InChIInChI=1S/C17H20N2O3/c1-11-5-4-6-16(13(11)3)22-10-18-17(21)19-15-8-7-14(20)9-12(15)2/h4-9,20H,10H2,1-3H3,(H2,18,19,21)
InChIKeyTUKWEHZZQSEJPM-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.48
Rot. Bonds4

About 1-[(2,3-dimethylphenoxy)methyl]-3-(4-hydroxy-2-methylphenyl)urea

1-[(2,3-dimethylphenoxy)methyl]-3-(4-hydroxy-2-methylphenyl)urea (PubChem CID 108878288) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[(2,3-dimethylphenoxy)methyl]-3-(4-hydroxy-2-methylphenyl)urea.

Molecular Properties

Compound Name1-[(2,3-dimethylphenoxy)methyl]-3-(4-hydroxy-2-methylphenyl)urea
PubChem CID108878288
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-[(2,3-dimethylphenoxy)methyl]-3-(4-hydroxy-2-methylphenyl)urea
SMILESCc1cc(O)ccc1NC(=O)NCOc1cccc(C)c1C
InChIInChI=1S/C17H20N2O3/c1-11-5-4-6-16(13(11)3)22-10-18-17(21)19-15-8-7-14(20)9-12(15)2/h4-9,20H,10H2,1-3H3,(H2,18,19,21)
InChIKeyTUKWEHZZQSEJPM-UHFFFAOYSA-N
XLogP3.48
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,3-dimethylphenoxy)methyl]-3-(5-hydroxynaphthalen-1-yl)urea
CID 108878287
1-[(2,3-dimethylphenoxy)methyl]-3-(2-ethylphenyl)urea
CID 108878458
1-(4-hydroxy-2-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883755
1-[(2-tert-butyl-4-methylphenoxy)methyl]-3-(4-hydroxy-2-methylphenyl)urea
CID 108877542
4-[(2,3-dimethylphenoxy)methylcarbamoylamino]benzenesulfonic acid
CID 108878223
1-(3,4-dichlorophenyl)-3-[(2,3-dimethylphenoxy)methyl]urea
CID 108878230
1-(2-butan-2-ylphenyl)-3-[(2,3-dimethylphenoxy)methyl]urea
CID 108878520
1-[(2,3-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea
CID 108878565
1-[(2,3-dimethylphenoxy)methyl]-3-(4-sulfamoylphenyl)urea
CID 108878284
1-(4-bromo-2-methylphenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893462
1-(4-hydroxy-2-methylphenyl)-3-(2-methoxyethyl)urea
CID 108890504
1-(2,3-dimethylphenyl)-3-(phenoxymethyl)urea
CID 108888843

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethylphenoxy)methyl]-3-(4-hydroxy-2-methylphenyl)urea?
The IUPAC name of 1-[(2,3-dimethylphenoxy)methyl]-3-(4-hydroxy-2-methylphenyl)urea (CID 108878288) is 1-[(2,3-dimethylphenoxy)methyl]-3-(4-hydroxy-2-methylphenyl)urea.
What is the SMILES notation for 1-[(2,3-dimethylphenoxy)methyl]-3-(4-hydroxy-2-methylphenyl)urea?
The canonical SMILES for 1-[(2,3-dimethylphenoxy)methyl]-3-(4-hydroxy-2-methylphenyl)urea is Cc1cc(O)ccc1NC(=O)NCOc1cccc(C)c1C.
What is the InChIKey of 1-[(2,3-dimethylphenoxy)methyl]-3-(4-hydroxy-2-methylphenyl)urea?
The InChIKey is TUKWEHZZQSEJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-5-4-6-16(13(11)3)22-10-18-17(21)19-15-8-7-14(20)9-12(15)2/h4-9,20H,10H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[(2,3-dimethylphenoxy)methyl]-3-(4-hydroxy-2-methylphenyl)urea?
1-[(2,3-dimethylphenoxy)methyl]-3-(4-hydroxy-2-methylphenyl)urea has a molecular weight of 300.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethylphenoxy)methyl]-3-(4-hydroxy-2-methylphenyl)urea is sourced from PubChem (CID 108878288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).