1-(4-hydroxy-2-methylphenyl)-3-(2-methoxyethyl)urea

C11H16N2O3 — CID 108890504

IUPAC1-(4-hydroxy-2-methylphenyl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)Nc1ccc(O)cc1C
InChIInChI=1S/C11H16N2O3/c1-8-7-9(14)3-4-10(8)13-11(15)12-5-6-16-2/h3-4,7,14H,5-6H2,1-2H3,(H2,12,13,15)
InChIKeyRFLGYBWOFJFXFV-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.47
Rot. Bonds4

About 1-(4-hydroxy-2-methylphenyl)-3-(2-methoxyethyl)urea

1-(4-hydroxy-2-methylphenyl)-3-(2-methoxyethyl)urea (PubChem CID 108890504) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylphenyl)-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylphenyl)-3-(2-methoxyethyl)urea
PubChem CID108890504
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-(4-hydroxy-2-methylphenyl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)Nc1ccc(O)cc1C
InChIInChI=1S/C11H16N2O3/c1-8-7-9(14)3-4-10(8)13-11(15)12-5-6-16-2/h3-4,7,14H,5-6H2,1-2H3,(H2,12,13,15)
InChIKeyRFLGYBWOFJFXFV-UHFFFAOYSA-N
XLogP1.47
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 5054028
1-(4-hydroxy-2-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883755
N-(4-hydroxy-2-methylphenyl)-5-methoxypentanamide
CID 71990885
1-[2-(4-bromophenyl)ethyl]-3-(4-hydroxy-2-methylphenyl)urea
CID 108902269
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47135210
1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970080
1-(4-amino-2-fluorophenyl)-3-(2-methoxyethyl)urea
CID 118069861
1-[(2,3-dimethylphenoxy)methyl]-3-(4-hydroxy-2-methylphenyl)urea
CID 108878288
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea
CID 47196271
1-(2-methoxyethyl)-3-[2-(2-methylphenoxy)phenyl]urea
CID 110426455
1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47194755
1-(2-methoxyethyl)-3-(2-methylnaphthalen-1-yl)urea
CID 75427067

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylphenyl)-3-(2-methoxyethyl)urea?
The IUPAC name of 1-(4-hydroxy-2-methylphenyl)-3-(2-methoxyethyl)urea (CID 108890504) is 1-(4-hydroxy-2-methylphenyl)-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-(4-hydroxy-2-methylphenyl)-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-(4-hydroxy-2-methylphenyl)-3-(2-methoxyethyl)urea is COCCNC(=O)Nc1ccc(O)cc1C.
What is the InChIKey of 1-(4-hydroxy-2-methylphenyl)-3-(2-methoxyethyl)urea?
The InChIKey is RFLGYBWOFJFXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8-7-9(14)3-4-10(8)13-11(15)12-5-6-16-2/h3-4,7,14H,5-6H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-(4-hydroxy-2-methylphenyl)-3-(2-methoxyethyl)urea?
1-(4-hydroxy-2-methylphenyl)-3-(2-methoxyethyl)urea has a molecular weight of 224.26 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylphenyl)-3-(2-methoxyethyl)urea is sourced from PubChem (CID 108890504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).