3-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)-1-methylurea

C14H14N2O4 — CID 108895520

IUPAC3-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)-1-methylurea
SMILESCN(C(=O)Nc1cc(O)cc(O)c1)c1ccc(O)cc1
InChIInChI=1S/C14H14N2O4/c1-16(10-2-4-11(17)5-3-10)14(20)15-9-6-12(18)8-13(19)7-9/h2-8,17-19H,1H3,(H,15,20)
InChIKeyFIOXUHCDMZHOOK-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.47
Rot. Bonds2

About 3-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)-1-methylurea

3-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)-1-methylurea (PubChem CID 108895520) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)-1-methylurea.

Molecular Properties

Compound Name3-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)-1-methylurea
PubChem CID108895520
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)-1-methylurea
SMILESCN(C(=O)Nc1cc(O)cc(O)c1)c1ccc(O)cc1
InChIInChI=1S/C14H14N2O4/c1-16(10-2-4-11(17)5-3-10)14(20)15-9-6-12(18)8-13(19)7-9/h2-8,17-19H,1H3,(H,15,20)
InChIKeyFIOXUHCDMZHOOK-UHFFFAOYSA-N
XLogP2.47
TPSA93.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-1-methylurea
CID 28740219
1-(4-hydroxyphenyl)-1,3-dimethylurea
CID 115281222
1-(4-hydroxyphenyl)-1-methyl-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813072
1-methyl-1-phenyl-3-quinolin-3-ylurea
CID 886905
N-(3-aminophenyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide
CID 108895501
2-[[(4-hydroxyphenyl)-methylcarbamoyl]amino]butanedioic acid
CID 107736952
1,1-dibutyl-3-(3,5-dihydroxyphenyl)urea
CID 108895483
3-(4-aminophenyl)-1-methyl-1-phenylurea
CID 43468906
N-(4-hydroxyphenyl)-N-methyl-2-(methylamino)acetamide
CID 103606278
3-(3,5-dihydroxyphenyl)-1-ethyl-1-(3-methylphenyl)urea
CID 108895597
1-(4-hydroxyphenyl)-1-methyl-3-(phenoxymethyl)urea
CID 108888950
1-(4-hydroxyphenyl)-1-methyl-3-[(E)-2-phenylethenyl]urea
CID 108903288

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)-1-methylurea?
The IUPAC name of 3-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)-1-methylurea (CID 108895520) is 3-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)-1-methylurea.
What is the SMILES notation for 3-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)-1-methylurea?
The canonical SMILES for 3-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)-1-methylurea is CN(C(=O)Nc1cc(O)cc(O)c1)c1ccc(O)cc1.
What is the InChIKey of 3-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)-1-methylurea?
The InChIKey is FIOXUHCDMZHOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-16(10-2-4-11(17)5-3-10)14(20)15-9-6-12(18)8-13(19)7-9/h2-8,17-19H,1H3,(H,15,20).
What are the key properties of 3-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)-1-methylurea?
3-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)-1-methylurea has a molecular weight of 274.28 g/mol, XLogP of 2.47, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)-1-methylurea is sourced from PubChem (CID 108895520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).