1-[(4-hydroxyphenyl)methyl]-1-methylurea

C9H12N2O2 — CID 61044600

IUPAC1-[(4-hydroxyphenyl)methyl]-1-methylurea
SMILESCN(Cc1ccc(O)cc1)C(N)=O
InChIInChI=1S/C9H12N2O2/c1-11(9(10)13)6-7-2-4-8(12)5-3-7/h2-5,12H,6H2,1H3,(H2,10,13)
InChIKeyIKVDFVUFXDMJFR-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.90
Rot. Bonds2

About 1-[(4-hydroxyphenyl)methyl]-1-methylurea

1-[(4-hydroxyphenyl)methyl]-1-methylurea (PubChem CID 61044600) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)methyl]-1-methylurea
PubChem CID61044600
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-[(4-hydroxyphenyl)methyl]-1-methylurea
SMILESCN(Cc1ccc(O)cc1)C(N)=O
InChIInChI=1S/C9H12N2O2/c1-11(9(10)13)6-7-2-4-8(12)5-3-7/h2-5,12H,6H2,1H3,(H2,10,13)
InChIKeyIKVDFVUFXDMJFR-UHFFFAOYSA-N
XLogP0.90
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)methyl]-1-methylurea?
The IUPAC name of 1-[(4-hydroxyphenyl)methyl]-1-methylurea (CID 61044600) is 1-[(4-hydroxyphenyl)methyl]-1-methylurea.
What is the SMILES notation for 1-[(4-hydroxyphenyl)methyl]-1-methylurea?
The canonical SMILES for 1-[(4-hydroxyphenyl)methyl]-1-methylurea is CN(Cc1ccc(O)cc1)C(N)=O.
What is the InChIKey of 1-[(4-hydroxyphenyl)methyl]-1-methylurea?
The InChIKey is IKVDFVUFXDMJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11(9(10)13)6-7-2-4-8(12)5-3-7/h2-5,12H,6H2,1H3,(H2,10,13).
What are the key properties of 1-[(4-hydroxyphenyl)methyl]-1-methylurea?
1-[(4-hydroxyphenyl)methyl]-1-methylurea has a molecular weight of 180.21 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyphenyl)methyl]-1-methylurea is sourced from PubChem (CID 61044600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).