[2-fluoro-6-(4-hydroxyphenyl)phenyl]carbamic acid

C13H10FNO3 — CID 68943751

IUPAC[2-fluoro-6-(4-hydroxyphenyl)phenyl]carbamic acid
SMILESO=C(O)Nc1c(F)cccc1-c1ccc(O)cc1
InChIInChI=1S/C13H10FNO3/c14-11-3-1-2-10(12(11)15-13(17)18)8-4-6-9(16)7-5-8/h1-7,15-16H,(H,17,18)
InChIKeyGDGKBNILJDGSBQ-UHFFFAOYSA-N
MW247.23 g/mol
LogP3.29
Rot. Bonds2

About [2-fluoro-6-(4-hydroxyphenyl)phenyl]carbamic acid

[2-fluoro-6-(4-hydroxyphenyl)phenyl]carbamic acid (PubChem CID 68943751) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is [2-fluoro-6-(4-hydroxyphenyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[2-fluoro-6-(4-hydroxyphenyl)phenyl]carbamic acid
PubChem CID68943751
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name[2-fluoro-6-(4-hydroxyphenyl)phenyl]carbamic acid
SMILESO=C(O)Nc1c(F)cccc1-c1ccc(O)cc1
InChIInChI=1S/C13H10FNO3/c14-11-3-1-2-10(12(11)15-13(17)18)8-4-6-9(16)7-5-8/h1-7,15-16H,(H,17,18)
InChIKeyGDGKBNILJDGSBQ-UHFFFAOYSA-N
XLogP3.29
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-(4-hydroxyphenyl)phenyl]carbamic acid?
The IUPAC name of [2-fluoro-6-(4-hydroxyphenyl)phenyl]carbamic acid (CID 68943751) is [2-fluoro-6-(4-hydroxyphenyl)phenyl]carbamic acid.
What is the SMILES notation for [2-fluoro-6-(4-hydroxyphenyl)phenyl]carbamic acid?
The canonical SMILES for [2-fluoro-6-(4-hydroxyphenyl)phenyl]carbamic acid is O=C(O)Nc1c(F)cccc1-c1ccc(O)cc1.
What is the InChIKey of [2-fluoro-6-(4-hydroxyphenyl)phenyl]carbamic acid?
The InChIKey is GDGKBNILJDGSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c14-11-3-1-2-10(12(11)15-13(17)18)8-4-6-9(16)7-5-8/h1-7,15-16H,(H,17,18).
What are the key properties of [2-fluoro-6-(4-hydroxyphenyl)phenyl]carbamic acid?
[2-fluoro-6-(4-hydroxyphenyl)phenyl]carbamic acid has a molecular weight of 247.23 g/mol, XLogP of 3.29, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-(4-hydroxyphenyl)phenyl]carbamic acid is sourced from PubChem (CID 68943751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).