3-(3-hydroxy-4-propan-2-ylphenyl)-1,1-dimethylurea

C12H18N2O2 — CID 100972112

IUPAC3-(3-hydroxy-4-propan-2-ylphenyl)-1,1-dimethylurea
SMILESCC(C)c1ccc(NC(=O)N(C)C)cc1O
InChIInChI=1S/C12H18N2O2/c1-8(2)10-6-5-9(7-11(10)15)13-12(16)14(3)4/h5-8,15H,1-4H3,(H,13,16)
InChIKeyXMKUZTYEDQVMIP-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.61
Rot. Bonds2

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

3-(3-hydroxy-4-propan-2-ylphenyl)-1,1-dimethylurea (PubChem CID 100972112) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(3-hydroxy-4-propan-2-ylphenyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(3-hydroxy-4-propan-2-ylphenyl)-1,1-dimethylurea
PubChem CID100972112
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-(3-hydroxy-4-propan-2-ylphenyl)-1,1-dimethylurea
SMILESCC(C)c1ccc(NC(=O)N(C)C)cc1O
InChIInChI=1S/C12H18N2O2/c1-8(2)10-6-5-9(7-11(10)15)13-12(16)14(3)4/h5-8,15H,1-4H3,(H,13,16)
InChIKeyXMKUZTYEDQVMIP-UHFFFAOYSA-N
XLogP2.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[3,5-Bis(trifluoromethyl)phenyl]-3-(3-hydroxy-4-methylphenyl)urea
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CID 78562
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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-4-propan-2-ylphenyl)-1,1-dimethylurea?
The IUPAC name of 3-(3-hydroxy-4-propan-2-ylphenyl)-1,1-dimethylurea (CID 100972112) is 3-(3-hydroxy-4-propan-2-ylphenyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(3-hydroxy-4-propan-2-ylphenyl)-1,1-dimethylurea?
The canonical SMILES for 3-(3-hydroxy-4-propan-2-ylphenyl)-1,1-dimethylurea is CC(C)c1ccc(NC(=O)N(C)C)cc1O.
What is the InChIKey of 3-(3-hydroxy-4-propan-2-ylphenyl)-1,1-dimethylurea?
The InChIKey is XMKUZTYEDQVMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)10-6-5-9(7-11(10)15)13-12(16)14(3)4/h5-8,15H,1-4H3,(H,13,16).
What are the key properties of 3-(3-hydroxy-4-propan-2-ylphenyl)-1,1-dimethylurea?
3-(3-hydroxy-4-propan-2-ylphenyl)-1,1-dimethylurea has a molecular weight of 222.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-4-propan-2-ylphenyl)-1,1-dimethylurea is sourced from PubChem (CID 100972112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).