1-[(4-hydroxyphenyl)methyl]-1-methyl-3-phenylurea

C15H16N2O2 — CID 38285844

IUPAC1-[(4-hydroxyphenyl)methyl]-1-methyl-3-phenylurea
SMILESCN(Cc1ccc(O)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C15H16N2O2/c1-17(11-12-7-9-14(18)10-8-12)15(19)16-13-5-3-2-4-6-13/h2-10,18H,11H2,1H3,(H,16,19)
InChIKeyGUVHPHLTTQGVQO-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.06
Rot. Bonds3

About 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-phenylurea

1-[(4-hydroxyphenyl)methyl]-1-methyl-3-phenylurea (PubChem CID 38285844) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-phenylurea.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)methyl]-1-methyl-3-phenylurea
PubChem CID38285844
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-[(4-hydroxyphenyl)methyl]-1-methyl-3-phenylurea
SMILESCN(Cc1ccc(O)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C15H16N2O2/c1-17(11-12-7-9-14(18)10-8-12)15(19)16-13-5-3-2-4-6-13/h2-10,18H,11H2,1H3,(H,16,19)
InChIKeyGUVHPHLTTQGVQO-UHFFFAOYSA-N
XLogP3.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.06
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-methyl-3-phenylurea?
The IUPAC name of 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-phenylurea (CID 38285844) is 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-phenylurea.
What is the SMILES notation for 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-phenylurea?
The canonical SMILES for 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-phenylurea is CN(Cc1ccc(O)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-phenylurea?
The InChIKey is GUVHPHLTTQGVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-17(11-12-7-9-14(18)10-8-12)15(19)16-13-5-3-2-4-6-13/h2-10,18H,11H2,1H3,(H,16,19).
What are the key properties of 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-phenylurea?
1-[(4-hydroxyphenyl)methyl]-1-methyl-3-phenylurea has a molecular weight of 256.31 g/mol, XLogP of 3.06, 3 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-methyl-3-phenylurea is sourced from PubChem (CID 38285844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).