1-(3-fluoro-4-hydroxyphenyl)-3-(2-phenylethyl)urea

C15H15FN2O2 — CID 69008943

IUPAC1-(3-fluoro-4-hydroxyphenyl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)Nc1ccc(O)c(F)c1
InChIInChI=1S/C15H15FN2O2/c16-13-10-12(6-7-14(13)19)18-15(20)17-9-8-11-4-2-1-3-5-11/h1-7,10,19H,8-9H2,(H2,17,18,20)
InChIKeyXWRBXVLGSAIHJY-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.90
Rot. Bonds4

About 1-(3-fluoro-4-hydroxyphenyl)-3-(2-phenylethyl)urea

1-(3-fluoro-4-hydroxyphenyl)-3-(2-phenylethyl)urea (PubChem CID 69008943) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-(3-fluoro-4-hydroxyphenyl)-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(3-fluoro-4-hydroxyphenyl)-3-(2-phenylethyl)urea
PubChem CID69008943
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name1-(3-fluoro-4-hydroxyphenyl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)Nc1ccc(O)c(F)c1
InChIInChI=1S/C15H15FN2O2/c16-13-10-12(6-7-14(13)19)18-15(20)17-9-8-11-4-2-1-3-5-11/h1-7,10,19H,8-9H2,(H2,17,18,20)
InChIKeyXWRBXVLGSAIHJY-UHFFFAOYSA-N
XLogP2.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 108888024
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547
1-ethyl-3-(3-fluoro-4-hydroxyphenyl)urea
CID 64781275
1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea
CID 108991013
1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 52596306
1-[2-(4-fluorophenyl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871934
1-(3,5-difluoro-4-hydroxyphenyl)-3-(2-phenylethyl)thiourea
CID 87655378
4-(2-phenylethylcarbamoylamino)benzamide
CID 108888099
1-(1H-indol-5-yl)-3-(2-phenylethyl)urea
CID 155412352
1-(4-chloro-3-fluorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 51116721
1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea
CID 59649482
1-(2-phenylethyl)-3-(3-pyrrol-1-ylphenyl)urea
CID 56505271

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-hydroxyphenyl)-3-(2-phenylethyl)urea?
The IUPAC name of 1-(3-fluoro-4-hydroxyphenyl)-3-(2-phenylethyl)urea (CID 69008943) is 1-(3-fluoro-4-hydroxyphenyl)-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(3-fluoro-4-hydroxyphenyl)-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(3-fluoro-4-hydroxyphenyl)-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)Nc1ccc(O)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-hydroxyphenyl)-3-(2-phenylethyl)urea?
The InChIKey is XWRBXVLGSAIHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-13-10-12(6-7-14(13)19)18-15(20)17-9-8-11-4-2-1-3-5-11/h1-7,10,19H,8-9H2,(H2,17,18,20).
What are the key properties of 1-(3-fluoro-4-hydroxyphenyl)-3-(2-phenylethyl)urea?
1-(3-fluoro-4-hydroxyphenyl)-3-(2-phenylethyl)urea has a molecular weight of 274.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-hydroxyphenyl)-3-(2-phenylethyl)urea is sourced from PubChem (CID 69008943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).