1-(4-ethylphenyl)-3-(2-hydroxyphenyl)urea

C15H16N2O2 — CID 44722454

IUPAC1-(4-ethylphenyl)-3-(2-hydroxyphenyl)urea
SMILESCCc1ccc(NC(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C15H16N2O2/c1-2-11-7-9-12(10-8-11)16-15(19)17-13-5-3-4-6-14(13)18/h3-10,18H,2H2,1H3,(H2,16,17,19)
InChIKeyRNMDYGUAEZHRML-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.60
Rot. Bonds3

About 1-(4-ethylphenyl)-3-(2-hydroxyphenyl)urea

1-(4-ethylphenyl)-3-(2-hydroxyphenyl)urea (PubChem CID 44722454) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(2-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(2-hydroxyphenyl)urea
PubChem CID44722454
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-(4-ethylphenyl)-3-(2-hydroxyphenyl)urea
SMILESCCc1ccc(NC(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C15H16N2O2/c1-2-11-7-9-12(10-8-11)16-15(19)17-13-5-3-4-6-14(13)18/h3-10,18H,2H2,1H3,(H2,16,17,19)
InChIKeyRNMDYGUAEZHRML-UHFFFAOYSA-N
XLogP3.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.60
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

C.I. Disperse Yellow 3
CID 17811
NS-1643
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1-(2-Bromophenyl)-3-(4-cyano-2-hydroxyphenyl)urea
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1-(4-Cyano-2-hydroxyphenyl)-3-phenylurea
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1-Adamantan-1-yl-3-(2-hydroxy-phenyl)-urea
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CID 44439692
1-Benzoyl-3-(2-hydroxy-phenyl)-urea
CID 1092635
(E)-3-(4-fluorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]prop-2-enamide
CID 773768
N-(2-Hydroxy-4-methylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(2-hydroxyphenyl)urea?
The IUPAC name of 1-(4-ethylphenyl)-3-(2-hydroxyphenyl)urea (CID 44722454) is 1-(4-ethylphenyl)-3-(2-hydroxyphenyl)urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(2-hydroxyphenyl)urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-(2-hydroxyphenyl)urea is CCc1ccc(NC(=O)Nc2ccccc2O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(2-hydroxyphenyl)urea?
The InChIKey is RNMDYGUAEZHRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-11-7-9-12(10-8-11)16-15(19)17-13-5-3-4-6-14(13)18/h3-10,18H,2H2,1H3,(H2,16,17,19).
What are the key properties of 1-(4-ethylphenyl)-3-(2-hydroxyphenyl)urea?
1-(4-ethylphenyl)-3-(2-hydroxyphenyl)urea has a molecular weight of 256.31 g/mol, XLogP of 3.60, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(2-hydroxyphenyl)urea is sourced from PubChem (CID 44722454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).