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

C14H14N2O3 — CID 69011055

IUPAC1-benzyl-3-(2,4-dihydroxyphenyl)urea
SMILESO=C(NCc1ccccc1)Nc1ccc(O)cc1O
InChIInChI=1S/C14H14N2O3/c17-11-6-7-12(13(18)8-11)16-14(19)15-9-10-4-2-1-3-5-10/h1-8,17-18H,9H2,(H2,15,16,19)
InChIKeyVWYXJDVWHMYJTM-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.42
Rot. Bonds3

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

1-benzyl-3-(2,4-dihydroxyphenyl)urea (PubChem CID 69011055) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-benzyl-3-(2,4-dihydroxyphenyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2,4-dihydroxyphenyl)urea
PubChem CID69011055
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name1-benzyl-3-(2,4-dihydroxyphenyl)urea
SMILESO=C(NCc1ccccc1)Nc1ccc(O)cc1O
InChIInChI=1S/C14H14N2O3/c17-11-6-7-12(13(18)8-11)16-14(19)15-9-10-4-2-1-3-5-10/h1-8,17-18H,9H2,(H2,15,16,19)
InChIKeyVWYXJDVWHMYJTM-UHFFFAOYSA-N
XLogP2.42
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-(4-bromo-2-hydroxyphenyl)urea
CID 15645616
1-(4-amino-2-hydroxyphenyl)-3-benzylurea
CID 15553207
4-(benzylamino)benzene-1,3-diol
CID 21321415
1-(2-aminophenyl)-3-benzylurea
CID 86135193
3-(benzylcarbamoylamino)-2-hydroxybenzoic acid
CID 104833448
1-(2,4-dihydroxyphenyl)-3-pentylurea
CID 10060116
ethyl 2-[(2,4-dihydroxyphenyl)carbamoylamino]-3-phenylpropanoate
CID 69009769
2-[2-(benzylcarbamoylamino)phenyl]acetamide
CID 51080430
1-benzyl-3-(2-methylsulfanylphenyl)urea
CID 47125363
1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868159
1-benzyl-3-(2,6-dimethylphenyl)urea
CID 2823182
1-benzyl-3-[2-(dimethylamino)phenyl]urea
CID 47202175

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,4-dihydroxyphenyl)urea?
The IUPAC name of 1-benzyl-3-(2,4-dihydroxyphenyl)urea (CID 69011055) is 1-benzyl-3-(2,4-dihydroxyphenyl)urea.
What is the SMILES notation for 1-benzyl-3-(2,4-dihydroxyphenyl)urea?
The canonical SMILES for 1-benzyl-3-(2,4-dihydroxyphenyl)urea is O=C(NCc1ccccc1)Nc1ccc(O)cc1O.
What is the InChIKey of 1-benzyl-3-(2,4-dihydroxyphenyl)urea?
The InChIKey is VWYXJDVWHMYJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-11-6-7-12(13(18)8-11)16-14(19)15-9-10-4-2-1-3-5-10/h1-8,17-18H,9H2,(H2,15,16,19).
What are the key properties of 1-benzyl-3-(2,4-dihydroxyphenyl)urea?
1-benzyl-3-(2,4-dihydroxyphenyl)urea has a molecular weight of 258.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,4-dihydroxyphenyl)urea is sourced from PubChem (CID 69011055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).