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

C16H14ClNO2 — CID 171512125

IUPAC5-(4-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol
SMILESCC(C)c1ccc(-c2nc3c(Cl)cccc3o2)cc1O
InChIInChI=1S/C16H14ClNO2/c1-9(2)11-7-6-10(8-13(11)19)16-18-15-12(17)4-3-5-14(15)20-16/h3-9,19H,1-2H3
InChIKeyXZUIHODPZZHQGV-UHFFFAOYSA-N
MW287.75 g/mol
LogP4.98
Rot. Bonds2

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

5-(4-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol (PubChem CID 171512125) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 5-(4-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol.

Molecular Properties

Compound Name5-(4-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol
PubChem CID171512125
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name5-(4-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol
SMILESCC(C)c1ccc(-c2nc3c(Cl)cccc3o2)cc1O
InChIInChI=1S/C16H14ClNO2/c1-9(2)11-7-6-10(8-13(11)19)16-18-15-12(17)4-3-5-14(15)20-16/h3-9,19H,1-2H3
InChIKeyXZUIHODPZZHQGV-UHFFFAOYSA-N
XLogP4.98
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol?
The IUPAC name of 5-(4-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol (CID 171512125) is 5-(4-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol.
What is the SMILES notation for 5-(4-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol?
The canonical SMILES for 5-(4-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol is CC(C)c1ccc(-c2nc3c(Cl)cccc3o2)cc1O.
What is the InChIKey of 5-(4-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol?
The InChIKey is XZUIHODPZZHQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-9(2)11-7-6-10(8-13(11)19)16-18-15-12(17)4-3-5-14(15)20-16/h3-9,19H,1-2H3.
What are the key properties of 5-(4-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol?
5-(4-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol has a molecular weight of 287.75 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol is sourced from PubChem (CID 171512125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).