1-(2-hydroxy-3-propan-2-ylphenyl)-3-methylurea

C11H16N2O2 — CID 20981812

IUPAC1-(2-hydroxy-3-propan-2-ylphenyl)-3-methylurea
SMILESCNC(=O)Nc1cccc(C(C)C)c1O
InChIInChI=1S/C11H16N2O2/c1-7(2)8-5-4-6-9(10(8)14)13-11(15)12-3/h4-7,14H,1-3H3,(H2,12,13,15)
InChIKeyKUDOAWQZXXOVMJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.27
Rot. Bonds2

About 1-(2-hydroxy-3-propan-2-ylphenyl)-3-methylurea

1-(2-hydroxy-3-propan-2-ylphenyl)-3-methylurea (PubChem CID 20981812) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(2-hydroxy-3-propan-2-ylphenyl)-3-methylurea.

Molecular Properties

Compound Name1-(2-hydroxy-3-propan-2-ylphenyl)-3-methylurea
PubChem CID20981812
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(2-hydroxy-3-propan-2-ylphenyl)-3-methylurea
SMILESCNC(=O)Nc1cccc(C(C)C)c1O
InChIInChI=1S/C11H16N2O2/c1-7(2)8-5-4-6-9(10(8)14)13-11(15)12-3/h4-7,14H,1-3H3,(H2,12,13,15)
InChIKeyKUDOAWQZXXOVMJ-UHFFFAOYSA-N
XLogP2.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-hydroxy-3-(2-methylpropyl)phenyl]-3-methylurea
CID 134117770
N-(2-hydroxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 91801800
1-(2-propan-2-ylphenyl)-3-(3,4,5-trihydroxyphenyl)urea
CID 108871682
2,6-di(propan-2-yl)phenol;silver
CID 174803720
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
1-(2,3-dimethylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 108991425
bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride
CID 87638376
bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride
CID 87638377
2,6-di(propan-2-yl)benzoic acid;2,6-di(propan-2-yl)phenol
CID 161375553
2-chloro-N-[(2-propan-2-ylphenyl)carbamoyl]propanamide
CID 43328847
methyl 2-(2-hydroxy-3-propan-2-ylphenyl)propanoate
CID 163214418
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-propan-2-ylphenyl)-3-methylurea?
The IUPAC name of 1-(2-hydroxy-3-propan-2-ylphenyl)-3-methylurea (CID 20981812) is 1-(2-hydroxy-3-propan-2-ylphenyl)-3-methylurea.
What is the SMILES notation for 1-(2-hydroxy-3-propan-2-ylphenyl)-3-methylurea?
The canonical SMILES for 1-(2-hydroxy-3-propan-2-ylphenyl)-3-methylurea is CNC(=O)Nc1cccc(C(C)C)c1O.
What is the InChIKey of 1-(2-hydroxy-3-propan-2-ylphenyl)-3-methylurea?
The InChIKey is KUDOAWQZXXOVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(2)8-5-4-6-9(10(8)14)13-11(15)12-3/h4-7,14H,1-3H3,(H2,12,13,15).
What are the key properties of 1-(2-hydroxy-3-propan-2-ylphenyl)-3-methylurea?
1-(2-hydroxy-3-propan-2-ylphenyl)-3-methylurea has a molecular weight of 208.26 g/mol, XLogP of 2.27, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-propan-2-ylphenyl)-3-methylurea is sourced from PubChem (CID 20981812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).