1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea

C17H18N2O2 — CID 108907333

IUPAC1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
SMILESCc1ccc(/C=C/NC(=O)Nc2cc(C)ccc2O)cc1
InChIInChI=1S/C17H18N2O2/c1-12-3-6-14(7-4-12)9-10-18-17(21)19-15-11-13(2)5-8-16(15)20/h3-11,20H,1-2H3,(H2,18,19,21)/b10-9+
InChIKeyKUDXWPWWNVIHMO-MDZDMXLPSA-N
MW282.34 g/mol
LogP3.80
Rot. Bonds3

About 1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea

1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea (PubChem CID 108907333) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
PubChem CID108907333
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
SMILESCc1ccc(/C=C/NC(=O)Nc2cc(C)ccc2O)cc1
InChIInChI=1S/C17H18N2O2/c1-12-3-6-14(7-4-12)9-10-18-17(21)19-15-11-13(2)5-8-16(15)20/h3-11,20H,1-2H3,(H2,18,19,21)/b10-9+
InChIKeyKUDXWPWWNVIHMO-MDZDMXLPSA-N
XLogP3.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(2-hydroxyphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905408
1-(2-amino-5-methylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907850
1-[(E)-2-(4-methylphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea
CID 108907476
1-(5-chloro-2-hydroxyphenyl)-3-(2-phenylethenyl)urea
CID 174580380
2-[[(E)-2-(4-methylphenyl)ethenyl]carbamoylamino]benzamide
CID 108907397
1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907198
1-(2-hydroxy-4-methylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909666
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)urea
CID 108908757
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-methylphenyl)urea
CID 108908655
1-(2-hydroxy-4-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905958
3-[[(E)-2-(4-methylphenyl)ethenyl]carbamoylamino]propanoic acid
CID 108907171

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea?
The IUPAC name of 1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea (CID 108907333) is 1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea.
What is the SMILES notation for 1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea?
The canonical SMILES for 1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea is Cc1ccc(/C=C/NC(=O)Nc2cc(C)ccc2O)cc1.
What is the InChIKey of 1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea?
The InChIKey is KUDXWPWWNVIHMO-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-3-6-14(7-4-12)9-10-18-17(21)19-15-11-13(2)5-8-16(15)20/h3-11,20H,1-2H3,(H2,18,19,21)/b10-9+.
What are the key properties of 1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea?
1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea has a molecular weight of 282.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea is sourced from PubChem (CID 108907333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).