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

C9H6ClNO2 — CID 137195866

IUPAC2-chloro-4-(1,3-oxazol-2-yl)phenol
SMILESOc1ccc(-c2ncco2)cc1Cl
InChIInChI=1S/C9H6ClNO2/c10-7-5-6(1-2-8(7)12)9-11-3-4-13-9/h1-5,12H
InChIKeyKGUMEMCKASJYKT-UHFFFAOYSA-N
MW195.61 g/mol
LogP2.70
Rot. Bonds1

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

2-chloro-4-(1,3-oxazol-2-yl)phenol (PubChem CID 137195866) has the molecular formula C9H6ClNO2 and a molecular weight of 195.61 g/mol. Its IUPAC name is 2-chloro-4-(1,3-oxazol-2-yl)phenol.

Molecular Properties

Compound Name2-chloro-4-(1,3-oxazol-2-yl)phenol
PubChem CID137195866
Molecular FormulaC9H6ClNO2
Molecular Weight195.61 g/mol
Exact Mass195.01
IUPAC Name2-chloro-4-(1,3-oxazol-2-yl)phenol
SMILESOc1ccc(-c2ncco2)cc1Cl
InChIInChI=1S/C9H6ClNO2/c10-7-5-6(1-2-8(7)12)9-11-3-4-13-9/h1-5,12H
InChIKeyKGUMEMCKASJYKT-UHFFFAOYSA-N
XLogP2.70
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,3-oxazol-2-yl)phenol?
The IUPAC name of 2-chloro-4-(1,3-oxazol-2-yl)phenol (CID 137195866) is 2-chloro-4-(1,3-oxazol-2-yl)phenol.
What is the SMILES notation for 2-chloro-4-(1,3-oxazol-2-yl)phenol?
The canonical SMILES for 2-chloro-4-(1,3-oxazol-2-yl)phenol is Oc1ccc(-c2ncco2)cc1Cl.
What is the InChIKey of 2-chloro-4-(1,3-oxazol-2-yl)phenol?
The InChIKey is KGUMEMCKASJYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2/c10-7-5-6(1-2-8(7)12)9-11-3-4-13-9/h1-5,12H.
What are the key properties of 2-chloro-4-(1,3-oxazol-2-yl)phenol?
2-chloro-4-(1,3-oxazol-2-yl)phenol has a molecular weight of 195.61 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,3-oxazol-2-yl)phenol is sourced from PubChem (CID 137195866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).