1-(4-hydroxyphenyl)-1-methyl-3-[(E)-2-phenylethenyl]urea

C16H16N2O2 — CID 108903288

IUPAC1-(4-hydroxyphenyl)-1-methyl-3-[(E)-2-phenylethenyl]urea
SMILESCN(C(=O)N/C=C/c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C16H16N2O2/c1-18(14-7-9-15(19)10-8-14)16(20)17-12-11-13-5-3-2-4-6-13/h2-12,19H,1H3,(H,17,20)/b12-11+
InChIKeyUYAMMPKRPLORDZ-VAWYXSNFSA-N
MW268.32 g/mol
LogP3.21
Rot. Bonds3

About 1-(4-hydroxyphenyl)-1-methyl-3-[(E)-2-phenylethenyl]urea

1-(4-hydroxyphenyl)-1-methyl-3-[(E)-2-phenylethenyl]urea (PubChem CID 108903288) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-1-methyl-3-[(E)-2-phenylethenyl]urea.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-1-methyl-3-[(E)-2-phenylethenyl]urea
PubChem CID108903288
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-(4-hydroxyphenyl)-1-methyl-3-[(E)-2-phenylethenyl]urea
SMILESCN(C(=O)N/C=C/c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C16H16N2O2/c1-18(14-7-9-15(19)10-8-14)16(20)17-12-11-13-5-3-2-4-6-13/h2-12,19H,1H3,(H,17,20)/b12-11+
InChIKeyUYAMMPKRPLORDZ-VAWYXSNFSA-N
XLogP3.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(4-hydroxyphenyl)-1-methylurea
CID 108908499
3-[(E)-2-(3-bromophenyl)ethenyl]-1-methyl-1-phenylurea
CID 108906945
(E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide
CID 84552100
3-ethenyl-1-methyl-1-phenylurea
CID 108909168
N-[2-(4-hydroxyphenyl)ethenyl]benzamide
CID 571205
1-(4-hydroxyphenyl)-1,3-dimethylurea
CID 115281222
N-(2-phenylethenyl)acetamide
CID 54032077
2-phenylethenylcarbamic acid
CID 151881054
4-[methyl(2-phenylethenyl)amino]phenol
CID 174417234
1-cyclohexyl-1-methyl-3-[(E)-2-phenylethenyl]urea
CID 108903114
N-[(E)-2-(4-hydroxyphenyl)ethenyl]acetamide
CID 21422510
1-methyl-3-(2-methylprop-1-enyl)-1-phenylurea
CID 108909905

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-1-methyl-3-[(E)-2-phenylethenyl]urea?
The IUPAC name of 1-(4-hydroxyphenyl)-1-methyl-3-[(E)-2-phenylethenyl]urea (CID 108903288) is 1-(4-hydroxyphenyl)-1-methyl-3-[(E)-2-phenylethenyl]urea.
What is the SMILES notation for 1-(4-hydroxyphenyl)-1-methyl-3-[(E)-2-phenylethenyl]urea?
The canonical SMILES for 1-(4-hydroxyphenyl)-1-methyl-3-[(E)-2-phenylethenyl]urea is CN(C(=O)N/C=C/c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-1-methyl-3-[(E)-2-phenylethenyl]urea?
The InChIKey is UYAMMPKRPLORDZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-18(14-7-9-15(19)10-8-14)16(20)17-12-11-13-5-3-2-4-6-13/h2-12,19H,1H3,(H,17,20)/b12-11+.
What are the key properties of 1-(4-hydroxyphenyl)-1-methyl-3-[(E)-2-phenylethenyl]urea?
1-(4-hydroxyphenyl)-1-methyl-3-[(E)-2-phenylethenyl]urea has a molecular weight of 268.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-1-methyl-3-[(E)-2-phenylethenyl]urea is sourced from PubChem (CID 108903288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).