1-(2-chloro-4-hydroxyphenyl)-3-(4-methylphenyl)urea

C14H13ClN2O2 — CID 64787940

IUPAC1-(2-chloro-4-hydroxyphenyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(O)cc2Cl)cc1
InChIInChI=1S/C14H13ClN2O2/c1-9-2-4-10(5-3-9)16-14(19)17-13-7-6-11(18)8-12(13)15/h2-8,18H,1H3,(H2,16,17,19)
InChIKeyIBNONEQXSOTORC-UHFFFAOYSA-N
MW276.72 g/mol
LogP4.00
Rot. Bonds2

About 1-(2-chloro-4-hydroxyphenyl)-3-(4-methylphenyl)urea

1-(2-chloro-4-hydroxyphenyl)-3-(4-methylphenyl)urea (PubChem CID 64787940) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 1-(2-chloro-4-hydroxyphenyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-chloro-4-hydroxyphenyl)-3-(4-methylphenyl)urea
PubChem CID64787940
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name1-(2-chloro-4-hydroxyphenyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(O)cc2Cl)cc1
InChIInChI=1S/C14H13ClN2O2/c1-9-2-4-10(5-3-9)16-14(19)17-13-7-6-11(18)8-12(13)15/h2-8,18H,1H3,(H2,16,17,19)
InChIKeyIBNONEQXSOTORC-UHFFFAOYSA-N
XLogP4.00
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 54.00
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-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
1-(2-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788337
N-(2-chloro-4-hydroxyphenyl)acetamide
CID 14590937
1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea
CID 27036650
1-(2,5-dimethylphenyl)-3-[4-(4-hydroxyphenyl)phenyl]urea
CID 168974118
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
1-(2-chloro-4-hydroxyphenyl)-3-(2,4-difluorophenyl)urea
CID 64789111
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
1-(4-amino-3-chlorophenyl)-3-(4-methylphenyl)urea
CID 82862192
1-(4-amino-2-bromophenyl)-3-(4-methylphenyl)urea
CID 43551396
1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea
CID 17283819
1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-hydroxyphenyl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(2-chloro-4-hydroxyphenyl)-3-(4-methylphenyl)urea (CID 64787940) is 1-(2-chloro-4-hydroxyphenyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(2-chloro-4-hydroxyphenyl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(2-chloro-4-hydroxyphenyl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(O)cc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-4-hydroxyphenyl)-3-(4-methylphenyl)urea?
The InChIKey is IBNONEQXSOTORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-9-2-4-10(5-3-9)16-14(19)17-13-7-6-11(18)8-12(13)15/h2-8,18H,1H3,(H2,16,17,19).
What are the key properties of 1-(2-chloro-4-hydroxyphenyl)-3-(4-methylphenyl)urea?
1-(2-chloro-4-hydroxyphenyl)-3-(4-methylphenyl)urea has a molecular weight of 276.72 g/mol, XLogP of 4.00, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-hydroxyphenyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 64787940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).