1-(4-hydroxyphenyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea

C16H16N2O2 — CID 108903472

IUPAC1-(4-hydroxyphenyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
SMILESCc1ccccc1/C=C/NC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C16H16N2O2/c1-12-4-2-3-5-13(12)10-11-17-16(20)18-14-6-8-15(19)9-7-14/h2-11,19H,1H3,(H2,17,18,20)/b11-10+
InChIKeyAPDBJNVVXZVEKA-ZHACJKMWSA-N
MW268.32 g/mol
LogP3.49
Rot. Bonds3

About 1-(4-hydroxyphenyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea

1-(4-hydroxyphenyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea (PubChem CID 108903472) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
PubChem CID108903472
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-(4-hydroxyphenyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
SMILESCc1ccccc1/C=C/NC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C16H16N2O2/c1-12-4-2-3-5-13(12)10-11-17-16(20)18-14-6-8-15(19)9-7-14/h2-11,19H,1H3,(H2,17,18,20)/b11-10+
InChIKeyAPDBJNVVXZVEKA-ZHACJKMWSA-N
XLogP3.49
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea?
The IUPAC name of 1-(4-hydroxyphenyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea (CID 108903472) is 1-(4-hydroxyphenyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea?
The canonical SMILES for 1-(4-hydroxyphenyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea is Cc1ccccc1/C=C/NC(=O)Nc1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea?
The InChIKey is APDBJNVVXZVEKA-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-12-4-2-3-5-13(12)10-11-17-16(20)18-14-6-8-15(19)9-7-14/h2-11,19H,1H3,(H2,17,18,20)/b11-10+.
What are the key properties of 1-(4-hydroxyphenyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea?
1-(4-hydroxyphenyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea has a molecular weight of 268.32 g/mol, XLogP of 3.49, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea is sourced from PubChem (CID 108903472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).