4-chloro-2-(3-methyl-1,2-oxazol-5-yl)phenol

C10H8ClNO2 — CID 137192993

IUPAC4-chloro-2-(3-methyl-1,2-oxazol-5-yl)phenol
SMILESCc1cc(-c2cc(Cl)ccc2O)on1
InChIInChI=1S/C10H8ClNO2/c1-6-4-10(14-12-6)8-5-7(11)2-3-9(8)13/h2-5,13H,1H3
InChIKeyZIQBJZMFAZGKAY-UHFFFAOYSA-N
MW209.63 g/mol
LogP3.01
Rot. Bonds1

About 4-chloro-2-(3-methyl-1,2-oxazol-5-yl)phenol

4-chloro-2-(3-methyl-1,2-oxazol-5-yl)phenol (PubChem CID 137192993) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 4-chloro-2-(3-methyl-1,2-oxazol-5-yl)phenol.

Molecular Properties

Compound Name4-chloro-2-(3-methyl-1,2-oxazol-5-yl)phenol
PubChem CID137192993
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name4-chloro-2-(3-methyl-1,2-oxazol-5-yl)phenol
SMILESCc1cc(-c2cc(Cl)ccc2O)on1
InChIInChI=1S/C10H8ClNO2/c1-6-4-10(14-12-6)8-5-7(11)2-3-9(8)13/h2-5,13H,1H3
InChIKeyZIQBJZMFAZGKAY-UHFFFAOYSA-N
XLogP3.01
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-methyl-1,2-oxazol-5-yl)phenol?
The IUPAC name of 4-chloro-2-(3-methyl-1,2-oxazol-5-yl)phenol (CID 137192993) is 4-chloro-2-(3-methyl-1,2-oxazol-5-yl)phenol.
What is the SMILES notation for 4-chloro-2-(3-methyl-1,2-oxazol-5-yl)phenol?
The canonical SMILES for 4-chloro-2-(3-methyl-1,2-oxazol-5-yl)phenol is Cc1cc(-c2cc(Cl)ccc2O)on1.
What is the InChIKey of 4-chloro-2-(3-methyl-1,2-oxazol-5-yl)phenol?
The InChIKey is ZIQBJZMFAZGKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c1-6-4-10(14-12-6)8-5-7(11)2-3-9(8)13/h2-5,13H,1H3.
What are the key properties of 4-chloro-2-(3-methyl-1,2-oxazol-5-yl)phenol?
4-chloro-2-(3-methyl-1,2-oxazol-5-yl)phenol has a molecular weight of 209.63 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-methyl-1,2-oxazol-5-yl)phenol is sourced from PubChem (CID 137192993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).