1-(3-fluoro-2-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)urea

C15H23FN2O2 — CID 69009268

IUPAC1-(3-fluoro-2-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)urea
SMILESCC(C)(C)CC(C)(C)NC(=O)Nc1cccc(F)c1O
InChIInChI=1S/C15H23FN2O2/c1-14(2,3)9-15(4,5)18-13(20)17-11-8-6-7-10(16)12(11)19/h6-8,19H,9H2,1-5H3,(H2,17,18,20)
InChIKeyJEUVXCLPKPQKLO-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.87
Rot. Bonds3

About 1-(3-fluoro-2-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)urea

1-(3-fluoro-2-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)urea (PubChem CID 69009268) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-(3-fluoro-2-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)urea.

Molecular Properties

Compound Name1-(3-fluoro-2-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)urea
PubChem CID69009268
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name1-(3-fluoro-2-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)urea
SMILESCC(C)(C)CC(C)(C)NC(=O)Nc1cccc(F)c1O
InChIInChI=1S/C15H23FN2O2/c1-14(2,3)9-15(4,5)18-13(20)17-11-8-6-7-10(16)12(11)19/h6-8,19H,9H2,1-5H3,(H2,17,18,20)
InChIKeyJEUVXCLPKPQKLO-UHFFFAOYSA-N
XLogP3.87
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.87
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-fluoro-2-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)urea?
The IUPAC name of 1-(3-fluoro-2-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)urea (CID 69009268) is 1-(3-fluoro-2-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)urea.
What is the SMILES notation for 1-(3-fluoro-2-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)urea?
The canonical SMILES for 1-(3-fluoro-2-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)urea is CC(C)(C)CC(C)(C)NC(=O)Nc1cccc(F)c1O.
What is the InChIKey of 1-(3-fluoro-2-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)urea?
The InChIKey is JEUVXCLPKPQKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-14(2,3)9-15(4,5)18-13(20)17-11-8-6-7-10(16)12(11)19/h6-8,19H,9H2,1-5H3,(H2,17,18,20).
What are the key properties of 1-(3-fluoro-2-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)urea?
1-(3-fluoro-2-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)urea has a molecular weight of 282.36 g/mol, XLogP of 3.87, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-hydroxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)urea is sourced from PubChem (CID 69009268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).