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

C17H18N2O3 — CID 108905958

IUPAC1-(2-hydroxy-4-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
SMILESCOc1cccc(/C=C/NC(=O)Nc2ccc(C)cc2O)c1
InChIInChI=1S/C17H18N2O3/c1-12-6-7-15(16(20)10-12)19-17(21)18-9-8-13-4-3-5-14(11-13)22-2/h3-11,20H,1-2H3,(H2,18,19,21)/b9-8+
InChIKeyDNGOLWJXKDXPFG-CMDGGOBGSA-N
MW298.34 g/mol
LogP3.50
Rot. Bonds4

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

1-(2-hydroxy-4-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea (PubChem CID 108905958) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-4-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
PubChem CID108905958
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name1-(2-hydroxy-4-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
SMILESCOc1cccc(/C=C/NC(=O)Nc2ccc(C)cc2O)c1
InChIInChI=1S/C17H18N2O3/c1-12-6-7-15(16(20)10-12)19-17(21)18-9-8-13-4-3-5-14(11-13)22-2/h3-11,20H,1-2H3,(H2,18,19,21)/b9-8+
InChIKeyDNGOLWJXKDXPFG-CMDGGOBGSA-N
XLogP3.50
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905842
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea
CID 108905985
1-(2,4-dichlorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905710
1-(2-hydroxyphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905408
1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905825
1-(2-hydroxy-4-methylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909666
dimethyl 2-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]benzene-1,4-dicarboxylate
CID 108905856
1-(2-amino-4-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905616
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(2-hydroxy-4-methylphenyl)urea
CID 108904840
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905913
1-(2-amino-5-methylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907850
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-methoxyphenyl)urea
CID 108906934

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea?
The IUPAC name of 1-(2-hydroxy-4-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea (CID 108905958) is 1-(2-hydroxy-4-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea.
What is the SMILES notation for 1-(2-hydroxy-4-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea?
The canonical SMILES for 1-(2-hydroxy-4-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea is COc1cccc(/C=C/NC(=O)Nc2ccc(C)cc2O)c1.
What is the InChIKey of 1-(2-hydroxy-4-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea?
The InChIKey is DNGOLWJXKDXPFG-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-6-7-15(16(20)10-12)19-17(21)18-9-8-13-4-3-5-14(11-13)22-2/h3-11,20H,1-2H3,(H2,18,19,21)/b9-8+.
What are the key properties of 1-(2-hydroxy-4-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea?
1-(2-hydroxy-4-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea has a molecular weight of 298.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea is sourced from PubChem (CID 108905958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).