1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea

C13H10Cl2N2O2 — CID 639709

IUPAC1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
SMILESO=C(Nc1ccc(O)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2N2O2/c14-11-6-3-9(7-12(11)15)17-13(19)16-8-1-4-10(18)5-2-8/h1-7,18H,(H2,16,17,19)
InChIKeyZBEMPBNOSDYHQH-UHFFFAOYSA-N
MW297.14 g/mol
LogP4.34
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea

1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea (PubChem CID 639709) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
PubChem CID639709
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
SMILESO=C(Nc1ccc(O)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2N2O2/c14-11-6-3-9(7-12(11)15)17-13(19)16-8-1-4-10(18)5-2-8/h1-7,18H,(H2,16,17,19)
InChIKeyZBEMPBNOSDYHQH-UHFFFAOYSA-N
XLogP4.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
1-(2-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788337
1-(2-amino-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 107698053
1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820
1-(4-bromo-3-fluorophenyl)-3-(3,4-dichlorophenyl)urea
CID 65431622
1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 54581582
1-(3-amino-4-bromophenyl)-3-(3,4-dichlorophenyl)urea
CID 79767592
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166
S-methyl N-(3,4-dichlorophenyl)carbamothioate
CID 23273770
1-carbamothioyl-3-(3,4-dichlorophenyl)urea
CID 134095672
1-(3,4-dichlorophenyl)-3-quinolin-3-ylurea
CID 2239305

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea (CID 639709) is 1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea is O=C(Nc1ccc(O)cc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea?
The InChIKey is ZBEMPBNOSDYHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c14-11-6-3-9(7-12(11)15)17-13(19)16-8-1-4-10(18)5-2-8/h1-7,18H,(H2,16,17,19).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea?
1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea has a molecular weight of 297.14 g/mol, XLogP of 4.34, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea is sourced from PubChem (CID 639709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).