4-(5-chloro-2,1-benzoxazol-3-yl)-2-methylphenol

C14H10ClNO2 — CID 4963862

IUPAC4-(5-chloro-2,1-benzoxazol-3-yl)-2-methylphenol
SMILESCc1cc(-c2onc3ccc(Cl)cc23)ccc1O
InChIInChI=1S/C14H10ClNO2/c1-8-6-9(2-5-13(8)17)14-11-7-10(15)3-4-12(11)16-18-14/h2-7,17H,1H3
InChIKeyDEILFIGMKGLHPE-UHFFFAOYSA-N
MW259.69 g/mol
LogP4.16
Rot. Bonds1

About 4-(5-chloro-2,1-benzoxazol-3-yl)-2-methylphenol

4-(5-chloro-2,1-benzoxazol-3-yl)-2-methylphenol (PubChem CID 4963862) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 4-(5-chloro-2,1-benzoxazol-3-yl)-2-methylphenol.

Molecular Properties

Compound Name4-(5-chloro-2,1-benzoxazol-3-yl)-2-methylphenol
PubChem CID4963862
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name4-(5-chloro-2,1-benzoxazol-3-yl)-2-methylphenol
SMILESCc1cc(-c2onc3ccc(Cl)cc23)ccc1O
InChIInChI=1S/C14H10ClNO2/c1-8-6-9(2-5-13(8)17)14-11-7-10(15)3-4-12(11)16-18-14/h2-7,17H,1H3
InChIKeyDEILFIGMKGLHPE-UHFFFAOYSA-N
XLogP4.16
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2,1-benzoxazol-3-yl)-2-methylphenol?
The IUPAC name of 4-(5-chloro-2,1-benzoxazol-3-yl)-2-methylphenol (CID 4963862) is 4-(5-chloro-2,1-benzoxazol-3-yl)-2-methylphenol.
What is the SMILES notation for 4-(5-chloro-2,1-benzoxazol-3-yl)-2-methylphenol?
The canonical SMILES for 4-(5-chloro-2,1-benzoxazol-3-yl)-2-methylphenol is Cc1cc(-c2onc3ccc(Cl)cc23)ccc1O.
What is the InChIKey of 4-(5-chloro-2,1-benzoxazol-3-yl)-2-methylphenol?
The InChIKey is DEILFIGMKGLHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c1-8-6-9(2-5-13(8)17)14-11-7-10(15)3-4-12(11)16-18-14/h2-7,17H,1H3.
What are the key properties of 4-(5-chloro-2,1-benzoxazol-3-yl)-2-methylphenol?
4-(5-chloro-2,1-benzoxazol-3-yl)-2-methylphenol has a molecular weight of 259.69 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2,1-benzoxazol-3-yl)-2-methylphenol is sourced from PubChem (CID 4963862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).