1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea

C14H14N2O4 — CID 69014425

IUPAC1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(O)cc2O)c1
InChIInChI=1S/C14H14N2O4/c1-20-11-4-2-3-9(7-11)15-14(19)16-12-6-5-10(17)8-13(12)18/h2-8,17-18H,1H3,(H2,15,16,19)
InChIKeyYAQCFSVUTTUBCA-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.75
Rot. Bonds3

About 1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea

1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea (PubChem CID 69014425) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
PubChem CID69014425
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(O)cc2O)c1
InChIInChI=1S/C14H14N2O4/c1-20-11-4-2-3-9(7-11)15-14(19)16-12-6-5-10(17)8-13(12)18/h2-8,17-18H,1H3,(H2,15,16,19)
InChIKeyYAQCFSVUTTUBCA-UHFFFAOYSA-N
XLogP2.75
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-4-hydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 107698021
1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 108895444
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)urea
CID 6469067
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-(2-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)urea
CID 103480109
1-(2-bromo-4-chlorophenyl)-3-(3-methoxyphenyl)urea
CID 81003505
1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea
CID 99129467
[3-[(2-hydroxyphenyl)carbamoylamino]phenyl] acetate
CID 108865153
1-(2-amino-5-fluorophenyl)-3-(3-methoxyphenyl)urea
CID 63256964
1-(3-methoxyphenyl)-3-[2-(piperidine-1-carbonyl)phenyl]urea
CID 99129473
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 27167303

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea (CID 69014425) is 1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2ccc(O)cc2O)c1.
What is the InChIKey of 1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea?
The InChIKey is YAQCFSVUTTUBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-20-11-4-2-3-9(7-11)15-14(19)16-12-6-5-10(17)8-13(12)18/h2-8,17-18H,1H3,(H2,15,16,19).
What are the key properties of 1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea?
1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea has a molecular weight of 274.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 69014425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).