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

C16H18N2O3 — CID 108868237

IUPAC1-(2-hydroxy-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(C)cc2O)cc1
InChIInChI=1S/C16H18N2O3/c1-11-3-8-14(15(19)9-11)18-16(20)17-10-12-4-6-13(21-2)7-5-12/h3-9,19H,10H2,1-2H3,(H2,17,18,20)
InChIKeyLWXBXSGJBRZNSK-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.03
Rot. Bonds4

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

1-(2-hydroxy-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 108868237) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxy-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]urea
PubChem CID108868237
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-(2-hydroxy-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(C)cc2O)cc1
InChIInChI=1S/C16H18N2O3/c1-11-3-8-14(15(19)9-11)18-16(20)17-10-12-4-6-13(21-2)7-5-12/h3-9,19H,10H2,1-2H3,(H2,17,18,20)
InChIKeyLWXBXSGJBRZNSK-UHFFFAOYSA-N
XLogP3.03
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.03
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-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868159
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901898
2,6-dihydroxy-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 58981626
1-[(3,5-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)urea
CID 23762285
1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868243
1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 17379696
N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 3114031
2-hydrazinyl-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide
CID 62510796
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947053
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethoxyphenyl)urea
CID 17283665

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(2-hydroxy-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]urea (CID 108868237) is 1-(2-hydroxy-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(2-hydroxy-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(2-hydroxy-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)Nc2ccc(C)cc2O)cc1.
What is the InChIKey of 1-(2-hydroxy-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is LWXBXSGJBRZNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-3-8-14(15(19)9-11)18-16(20)17-10-12-4-6-13(21-2)7-5-12/h3-9,19H,10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(2-hydroxy-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]urea?
1-(2-hydroxy-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 286.33 g/mol, XLogP of 3.03, 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-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 108868237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).