1-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-phenylurea

C14H12Cl2N2O2 — CID 10425549

IUPAC1-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-phenylurea
SMILESCc1c(Cl)cc(NC(=O)Nc2ccccc2)c(O)c1Cl
InChIInChI=1S/C14H12Cl2N2O2/c1-8-10(15)7-11(13(19)12(8)16)18-14(20)17-9-5-3-2-4-6-9/h2-7,19H,1H3,(H2,17,18,20)
InChIKeyDBFZODVCRWVREQ-UHFFFAOYSA-N
MW311.17 g/mol
LogP4.65
Rot. Bonds2

About 1-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-phenylurea

1-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-phenylurea (PubChem CID 10425549) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-phenylurea
PubChem CID10425549
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name1-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-phenylurea
SMILESCc1c(Cl)cc(NC(=O)Nc2ccccc2)c(O)c1Cl
InChIInChI=1S/C14H12Cl2N2O2/c1-8-10(15)7-11(13(19)12(8)16)18-14(20)17-9-5-3-2-4-6-9/h2-7,19H,1H3,(H2,17,18,20)
InChIKeyDBFZODVCRWVREQ-UHFFFAOYSA-N
XLogP4.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-phenylurea?
The IUPAC name of 1-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-phenylurea (CID 10425549) is 1-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-phenylurea.
What is the SMILES notation for 1-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-phenylurea?
The canonical SMILES for 1-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-phenylurea is Cc1c(Cl)cc(NC(=O)Nc2ccccc2)c(O)c1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-phenylurea?
The InChIKey is DBFZODVCRWVREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-8-10(15)7-11(13(19)12(8)16)18-14(20)17-9-5-3-2-4-6-9/h2-7,19H,1H3,(H2,17,18,20).
What are the key properties of 1-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-phenylurea?
1-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-phenylurea has a molecular weight of 311.17 g/mol, XLogP of 4.65, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-hydroxy-4-methylphenyl)-3-phenylurea is sourced from PubChem (CID 10425549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).