1-[2-(2-hydroxyethyl)phenyl]-3-[4-hydroxy-2-(trifluoromethyl)phenyl]urea

C16H15F3N2O3 — CID 142259783

IUPAC1-[2-(2-hydroxyethyl)phenyl]-3-[4-hydroxy-2-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccccc1CCO)Nc1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C16H15F3N2O3/c17-16(18,19)12-9-11(23)5-6-14(12)21-15(24)20-13-4-2-1-3-10(13)7-8-22/h1-6,9,22-23H,7-8H2,(H2,20,21,24)
InChIKeyPNBKBRBZRXKYOE-UHFFFAOYSA-N
MW340.30 g/mol
LogP3.59
Rot. Bonds4

About 1-[2-(2-hydroxyethyl)phenyl]-3-[4-hydroxy-2-(trifluoromethyl)phenyl]urea

1-[2-(2-hydroxyethyl)phenyl]-3-[4-hydroxy-2-(trifluoromethyl)phenyl]urea (PubChem CID 142259783) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)phenyl]-3-[4-hydroxy-2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)phenyl]-3-[4-hydroxy-2-(trifluoromethyl)phenyl]urea
PubChem CID142259783
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC Name1-[2-(2-hydroxyethyl)phenyl]-3-[4-hydroxy-2-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccccc1CCO)Nc1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C16H15F3N2O3/c17-16(18,19)12-9-11(23)5-6-14(12)21-15(24)20-13-4-2-1-3-10(13)7-8-22/h1-6,9,22-23H,7-8H2,(H2,20,21,24)
InChIKeyPNBKBRBZRXKYOE-UHFFFAOYSA-N
XLogP3.59
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-chloro-4-hydroxyphenyl)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea
CID 142259782
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-sulfanylphenyl)urea
CID 108886509
1-(5-hydroxypentyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108887689
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 108894207
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
2,2,2-trifluoro-N-[2-(3-hydroxypropyl)phenyl]acetamide
CID 88546712
1-[2-(2-chlorophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108900378
N-[4-[[4-benzamido-2-(trifluoromethyl)phenyl]carbamoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 47093559
1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(hydroxymethyl)phenyl]urea
CID 139246694
1-[3-(2-aminoethylamino)-5-fluorophenyl]-3-[2-(2-hydroxyethyl)phenyl]urea
CID 156854682
1-(2-hydroxy-4-nitrophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 157365653
2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
CID 23512067

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)phenyl]-3-[4-hydroxy-2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-(2-hydroxyethyl)phenyl]-3-[4-hydroxy-2-(trifluoromethyl)phenyl]urea (CID 142259783) is 1-[2-(2-hydroxyethyl)phenyl]-3-[4-hydroxy-2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)phenyl]-3-[4-hydroxy-2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-(2-hydroxyethyl)phenyl]-3-[4-hydroxy-2-(trifluoromethyl)phenyl]urea is O=C(Nc1ccccc1CCO)Nc1ccc(O)cc1C(F)(F)F.
What is the InChIKey of 1-[2-(2-hydroxyethyl)phenyl]-3-[4-hydroxy-2-(trifluoromethyl)phenyl]urea?
The InChIKey is PNBKBRBZRXKYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c17-16(18,19)12-9-11(23)5-6-14(12)21-15(24)20-13-4-2-1-3-10(13)7-8-22/h1-6,9,22-23H,7-8H2,(H2,20,21,24).
What are the key properties of 1-[2-(2-hydroxyethyl)phenyl]-3-[4-hydroxy-2-(trifluoromethyl)phenyl]urea?
1-[2-(2-hydroxyethyl)phenyl]-3-[4-hydroxy-2-(trifluoromethyl)phenyl]urea has a molecular weight of 340.30 g/mol, XLogP of 3.59, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)phenyl]-3-[4-hydroxy-2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 142259783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).