1-[2-(2-hydroxypropyl)phenyl]-1-methylurea

C11H16N2O2 — CID 117297750

IUPAC1-[2-(2-hydroxypropyl)phenyl]-1-methylurea
SMILESCC(O)Cc1ccccc1N(C)C(N)=O
InChIInChI=1S/C11H16N2O2/c1-8(14)7-9-5-3-4-6-10(9)13(2)11(12)15/h3-6,8,14H,7H2,1-2H3,(H2,12,15)
InChIKeyGJTKIVAGLFRVCZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.12
Rot. Bonds3

About 1-[2-(2-hydroxypropyl)phenyl]-1-methylurea

1-[2-(2-hydroxypropyl)phenyl]-1-methylurea (PubChem CID 117297750) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[2-(2-hydroxypropyl)phenyl]-1-methylurea.

Molecular Properties

Compound Name1-[2-(2-hydroxypropyl)phenyl]-1-methylurea
PubChem CID117297750
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-[2-(2-hydroxypropyl)phenyl]-1-methylurea
SMILESCC(O)Cc1ccccc1N(C)C(N)=O
InChIInChI=1S/C11H16N2O2/c1-8(14)7-9-5-3-4-6-10(9)13(2)11(12)15/h3-6,8,14H,7H2,1-2H3,(H2,12,15)
InChIKeyGJTKIVAGLFRVCZ-UHFFFAOYSA-N
XLogP1.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(isocyanatomethyl)phenyl]-1-methylurea
CID 117293248
2-[2-(2-hydroxypropyl)phenyl]acetic acid
CID 117111520
1-[3-(2-hydroxypropyl)phenyl]-1-methylurea
CID 117297751
methyl 2-[[2-[(dimethylamino)methyl]phenyl]methylamino]propanoate
CID 66172279
[2-(hydroxymethyl)phenyl]-methylcarbamic acid
CID 18370050
2-[[2-(2-hydroxypropyl)phenyl]methyl]prop-2-enoic acid
CID 54496250
[2-[acetyl(methyl)amino]phenyl]methyl acetate
CID 13244169
1,3-diamino-1-[2-(bromomethyl)phenyl]-3-methylurea
CID 134360567
N-[2-(3-aminopropyl)phenyl]-N-methylacetamide
CID 143582453
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
2-hydroxy-6-[(2S)-2-hydroxypropyl]benzoic acid
CID 162921751
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxypropyl)phenyl]-1-methylurea?
The IUPAC name of 1-[2-(2-hydroxypropyl)phenyl]-1-methylurea (CID 117297750) is 1-[2-(2-hydroxypropyl)phenyl]-1-methylurea.
What is the SMILES notation for 1-[2-(2-hydroxypropyl)phenyl]-1-methylurea?
The canonical SMILES for 1-[2-(2-hydroxypropyl)phenyl]-1-methylurea is CC(O)Cc1ccccc1N(C)C(N)=O.
What is the InChIKey of 1-[2-(2-hydroxypropyl)phenyl]-1-methylurea?
The InChIKey is GJTKIVAGLFRVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(14)7-9-5-3-4-6-10(9)13(2)11(12)15/h3-6,8,14H,7H2,1-2H3,(H2,12,15).
What are the key properties of 1-[2-(2-hydroxypropyl)phenyl]-1-methylurea?
1-[2-(2-hydroxypropyl)phenyl]-1-methylurea has a molecular weight of 208.26 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxypropyl)phenyl]-1-methylurea is sourced from PubChem (CID 117297750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).