1-(2,3-dichlorophenyl)-1-(2-hydroxy-4-propan-2-ylphenyl)urea

C16H16Cl2N2O2 — CID 154451516

IUPAC1-(2,3-dichlorophenyl)-1-(2-hydroxy-4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(N(C(N)=O)c2cccc(Cl)c2Cl)c(O)c1
InChIInChI=1S/C16H16Cl2N2O2/c1-9(2)10-6-7-12(14(21)8-10)20(16(19)22)13-5-3-4-11(17)15(13)18/h3-9,21H,1-2H3,(H2,19,22)
InChIKeyXPQRCZQIBHESRL-UHFFFAOYSA-N
MW339.22 g/mol
LogP5.04
Rot. Bonds3

About 1-(2,3-dichlorophenyl)-1-(2-hydroxy-4-propan-2-ylphenyl)urea

1-(2,3-dichlorophenyl)-1-(2-hydroxy-4-propan-2-ylphenyl)urea (PubChem CID 154451516) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-1-(2-hydroxy-4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-1-(2-hydroxy-4-propan-2-ylphenyl)urea
PubChem CID154451516
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name1-(2,3-dichlorophenyl)-1-(2-hydroxy-4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(N(C(N)=O)c2cccc(Cl)c2Cl)c(O)c1
InChIInChI=1S/C16H16Cl2N2O2/c1-9(2)10-6-7-12(14(21)8-10)20(16(19)22)13-5-3-4-11(17)15(13)18/h3-9,21H,1-2H3,(H2,19,22)
InChIKeyXPQRCZQIBHESRL-UHFFFAOYSA-N
XLogP5.04
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.22
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-chloro-2-hydroxy-3-(methylsulfamoyl)phenyl]-1-(2,3-dichlorophenyl)urea
CID 54015879
2-chloro-5-propan-2-ylphenol
CID 59596487
1-[2,6-di(propan-2-yl)phenyl]-1-(4-propan-2-ylphenyl)urea
CID 141049906
2,3-dichlorophenol;2-hydroxypropanoic acid
CID 163936283
sodium;1-[4-chloro-2-hydroxy-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-1-(2,3-dichlorophenyl)urea;hydride
CID 174432990
(4-chlorophenyl)-(3-propan-2-ylphenyl)methanamine
CID 138032113
1-(2-chloro-5-propan-2-ylphenyl)ethanone
CID 83988508
N-(2-chloro-5-propan-2-ylphenyl)-N-methylcarbamate
CID 21398762
1,2-dichlorobenzene;1,1-dimethylurea
CID 161139113
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
1,2-dichloro-3-[chloro-(4-propan-2-ylphenyl)methyl]benzene
CID 55199111
(2R)-2-(2,3-dichlorophenoxy)propanamide
CID 7372370

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-1-(2-hydroxy-4-propan-2-ylphenyl)urea?
The IUPAC name of 1-(2,3-dichlorophenyl)-1-(2-hydroxy-4-propan-2-ylphenyl)urea (CID 154451516) is 1-(2,3-dichlorophenyl)-1-(2-hydroxy-4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-1-(2-hydroxy-4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-1-(2-hydroxy-4-propan-2-ylphenyl)urea is CC(C)c1ccc(N(C(N)=O)c2cccc(Cl)c2Cl)c(O)c1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-1-(2-hydroxy-4-propan-2-ylphenyl)urea?
The InChIKey is XPQRCZQIBHESRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-9(2)10-6-7-12(14(21)8-10)20(16(19)22)13-5-3-4-11(17)15(13)18/h3-9,21H,1-2H3,(H2,19,22).
What are the key properties of 1-(2,3-dichlorophenyl)-1-(2-hydroxy-4-propan-2-ylphenyl)urea?
1-(2,3-dichlorophenyl)-1-(2-hydroxy-4-propan-2-ylphenyl)urea has a molecular weight of 339.22 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-1-(2-hydroxy-4-propan-2-ylphenyl)urea is sourced from PubChem (CID 154451516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).