(3-fluorophenyl)-(4-hydroxyphenyl)carbamic acid

C13H10FNO3 — CID 69141439

IUPAC(3-fluorophenyl)-(4-hydroxyphenyl)carbamic acid
SMILESO=C(O)N(c1ccc(O)cc1)c1cccc(F)c1
InChIInChI=1S/C13H10FNO3/c14-9-2-1-3-11(8-9)15(13(17)18)10-4-6-12(16)7-5-10/h1-8,16H,(H,17,18)
InChIKeyIHFMEJGEBPTFPM-UHFFFAOYSA-N
MW247.23 g/mol
LogP3.35
Rot. Bonds2

About (3-fluorophenyl)-(4-hydroxyphenyl)carbamic acid

(3-fluorophenyl)-(4-hydroxyphenyl)carbamic acid (PubChem CID 69141439) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is (3-fluorophenyl)-(4-hydroxyphenyl)carbamic acid.

Molecular Properties

Compound Name(3-fluorophenyl)-(4-hydroxyphenyl)carbamic acid
PubChem CID69141439
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name(3-fluorophenyl)-(4-hydroxyphenyl)carbamic acid
SMILESO=C(O)N(c1ccc(O)cc1)c1cccc(F)c1
InChIInChI=1S/C13H10FNO3/c14-9-2-1-3-11(8-9)15(13(17)18)10-4-6-12(16)7-5-10/h1-8,16H,(H,17,18)
InChIKeyIHFMEJGEBPTFPM-UHFFFAOYSA-N
XLogP3.35
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(4-hydroxyphenyl)carbamic acid?
The IUPAC name of (3-fluorophenyl)-(4-hydroxyphenyl)carbamic acid (CID 69141439) is (3-fluorophenyl)-(4-hydroxyphenyl)carbamic acid.
What is the SMILES notation for (3-fluorophenyl)-(4-hydroxyphenyl)carbamic acid?
The canonical SMILES for (3-fluorophenyl)-(4-hydroxyphenyl)carbamic acid is O=C(O)N(c1ccc(O)cc1)c1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)-(4-hydroxyphenyl)carbamic acid?
The InChIKey is IHFMEJGEBPTFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c14-9-2-1-3-11(8-9)15(13(17)18)10-4-6-12(16)7-5-10/h1-8,16H,(H,17,18).
What are the key properties of (3-fluorophenyl)-(4-hydroxyphenyl)carbamic acid?
(3-fluorophenyl)-(4-hydroxyphenyl)carbamic acid has a molecular weight of 247.23 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(4-hydroxyphenyl)carbamic acid is sourced from PubChem (CID 69141439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).