1-[(2-hydroxy-3-methylphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-phenylurea

C22H22N2O3 — CID 46229406

IUPAC1-[(2-hydroxy-3-methylphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-phenylurea
SMILESCc1cccc(CN(Cc2ccc(O)cc2)C(=O)Nc2ccccc2)c1O
InChIInChI=1S/C22H22N2O3/c1-16-6-5-7-18(21(16)26)15-24(14-17-10-12-20(25)13-11-17)22(27)23-19-8-3-2-4-9-19/h2-13,25-26H,14-15H2,1H3,(H,23,27)
InChIKeyADGFMMGNBWOIFL-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.64
Rot. Bonds5

About 1-[(2-hydroxy-3-methylphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-phenylurea

1-[(2-hydroxy-3-methylphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-phenylurea (PubChem CID 46229406) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[(2-hydroxy-3-methylphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(2-hydroxy-3-methylphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-phenylurea
PubChem CID46229406
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name1-[(2-hydroxy-3-methylphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-phenylurea
SMILESCc1cccc(CN(Cc2ccc(O)cc2)C(=O)Nc2ccccc2)c1O
InChIInChI=1S/C22H22N2O3/c1-16-6-5-7-18(21(16)26)15-24(14-17-10-12-20(25)13-11-17)22(27)23-19-8-3-2-4-9-19/h2-13,25-26H,14-15H2,1H3,(H,23,27)
InChIKeyADGFMMGNBWOIFL-UHFFFAOYSA-N
XLogP4.64
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(3,5-dibromo-2-hydroxyphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-phenylurea
CID 46229408
1,1-dibenzyl-3-(2-ethyl-6-methylphenyl)urea
CID 3835143
1-benzyl-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-phenylurea
CID 3980588
1-[(2-methylphenyl)methyl]-3-pyridin-3-yl-1-(pyridin-3-ylmethyl)urea
CID 47075709
1-benzyl-3-phenyl-1-propylurea
CID 78786424
2-[(4-hydroxyphenyl)methyl]-6-methylphenol
CID 91146240
2-[(dibenzylamino)methyl]-6-methylphenol;hydrochloride
CID 17382576
1-[(4-methylphenyl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea
CID 5147202
1-benzyl-3-(4-methylphenyl)-1-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 4612905
1-benzyl-1-[(4-butylphenyl)methyl]-3-(2,4,5-trimethylphenyl)urea
CID 15137604
1-benzyl-3-phenyl-1-prop-2-enylurea
CID 34697540
3-[benzyl-[(4-methylphenyl)carbamoyl]amino]propanoate
CID 6930575

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-3-methylphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-phenylurea?
The IUPAC name of 1-[(2-hydroxy-3-methylphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-phenylurea (CID 46229406) is 1-[(2-hydroxy-3-methylphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[(2-hydroxy-3-methylphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-phenylurea?
The canonical SMILES for 1-[(2-hydroxy-3-methylphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-phenylurea is Cc1cccc(CN(Cc2ccc(O)cc2)C(=O)Nc2ccccc2)c1O.
What is the InChIKey of 1-[(2-hydroxy-3-methylphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-phenylurea?
The InChIKey is ADGFMMGNBWOIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-16-6-5-7-18(21(16)26)15-24(14-17-10-12-20(25)13-11-17)22(27)23-19-8-3-2-4-9-19/h2-13,25-26H,14-15H2,1H3,(H,23,27).
What are the key properties of 1-[(2-hydroxy-3-methylphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-phenylurea?
1-[(2-hydroxy-3-methylphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-phenylurea has a molecular weight of 362.43 g/mol, XLogP of 4.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-3-methylphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-phenylurea is sourced from PubChem (CID 46229406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).