1-(2-hydroxy-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea

C17H20N2O2 — CID 108899779

IUPAC1-(2-hydroxy-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
SMILESCc1ccc(NC(=O)NCCc2ccccc2C)c(O)c1
InChIInChI=1S/C17H20N2O2/c1-12-7-8-15(16(20)11-12)19-17(21)18-10-9-14-6-4-3-5-13(14)2/h3-8,11,20H,9-10H2,1-2H3,(H2,18,19,21)
InChIKeyWVMNGHQDUZCXEC-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.37
Rot. Bonds4

About 1-(2-hydroxy-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea

1-(2-hydroxy-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea (PubChem CID 108899779) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
PubChem CID108899779
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(2-hydroxy-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
SMILESCc1ccc(NC(=O)NCCc2ccccc2C)c(O)c1
InChIInChI=1S/C17H20N2O2/c1-12-7-8-15(16(20)11-12)19-17(21)18-10-9-14-6-4-3-5-13(14)2/h3-8,11,20H,9-10H2,1-2H3,(H2,18,19,21)
InChIKeyWVMNGHQDUZCXEC-UHFFFAOYSA-N
XLogP3.37
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.37
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-bromo-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52543091
1-(2,4-dimethylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 3766021
1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-hydroxy-4-methylphenyl)urea
CID 108881813
1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52590743
1-[(2-fluorophenyl)methyl]-3-(2-hydroxy-4-methylphenyl)urea
CID 108897572
1-(2-tert-butylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 5094331
ethyl 3-[(2-hydroxy-4-methylphenyl)carbamoylamino]propanoate
CID 10468107
1-(4-anilinophenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108899723
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 38155486
1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-phenylethyl)urea
CID 3381220
2,4-dimethyl-N-[2-(2-methylphenyl)ethyl]aniline
CID 54796543

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1-(2-hydroxy-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea (CID 108899779) is 1-(2-hydroxy-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-hydroxy-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(2-hydroxy-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea is Cc1ccc(NC(=O)NCCc2ccccc2C)c(O)c1.
What is the InChIKey of 1-(2-hydroxy-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea?
The InChIKey is WVMNGHQDUZCXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-7-8-15(16(20)11-12)19-17(21)18-10-9-14-6-4-3-5-13(14)2/h3-8,11,20H,9-10H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(2-hydroxy-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea?
1-(2-hydroxy-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea has a molecular weight of 284.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 108899779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).