[2-(3-chloro-4-fluorophenyl)-4-hydroxyphenyl]carbamic acid

C13H9ClFNO3 — CID 121374981

IUPAC[2-(3-chloro-4-fluorophenyl)-4-hydroxyphenyl]carbamic acid
SMILESO=C(O)Nc1ccc(O)cc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H9ClFNO3/c14-10-5-7(1-3-11(10)15)9-6-8(17)2-4-12(9)16-13(18)19/h1-6,16-17H,(H,18,19)
InChIKeyYSVYTVQLGMIGPE-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.94
Rot. Bonds2

About [2-(3-chloro-4-fluorophenyl)-4-hydroxyphenyl]carbamic acid

[2-(3-chloro-4-fluorophenyl)-4-hydroxyphenyl]carbamic acid (PubChem CID 121374981) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is [2-(3-chloro-4-fluorophenyl)-4-hydroxyphenyl]carbamic acid.

Molecular Properties

Compound Name[2-(3-chloro-4-fluorophenyl)-4-hydroxyphenyl]carbamic acid
PubChem CID121374981
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC Name[2-(3-chloro-4-fluorophenyl)-4-hydroxyphenyl]carbamic acid
SMILESO=C(O)Nc1ccc(O)cc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H9ClFNO3/c14-10-5-7(1-3-11(10)15)9-6-8(17)2-4-12(9)16-13(18)19/h1-6,16-17H,(H,18,19)
InChIKeyYSVYTVQLGMIGPE-UHFFFAOYSA-N
XLogP3.94
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-fluorophenyl)-4-hydroxyphenyl]carbamic acid?
The IUPAC name of [2-(3-chloro-4-fluorophenyl)-4-hydroxyphenyl]carbamic acid (CID 121374981) is [2-(3-chloro-4-fluorophenyl)-4-hydroxyphenyl]carbamic acid.
What is the SMILES notation for [2-(3-chloro-4-fluorophenyl)-4-hydroxyphenyl]carbamic acid?
The canonical SMILES for [2-(3-chloro-4-fluorophenyl)-4-hydroxyphenyl]carbamic acid is O=C(O)Nc1ccc(O)cc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of [2-(3-chloro-4-fluorophenyl)-4-hydroxyphenyl]carbamic acid?
The InChIKey is YSVYTVQLGMIGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c14-10-5-7(1-3-11(10)15)9-6-8(17)2-4-12(9)16-13(18)19/h1-6,16-17H,(H,18,19).
What are the key properties of [2-(3-chloro-4-fluorophenyl)-4-hydroxyphenyl]carbamic acid?
[2-(3-chloro-4-fluorophenyl)-4-hydroxyphenyl]carbamic acid has a molecular weight of 281.67 g/mol, XLogP of 3.94, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-fluorophenyl)-4-hydroxyphenyl]carbamic acid is sourced from PubChem (CID 121374981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).