5-(6-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol

C16H14ClNO2 — CID 171512130

IUPAC5-(6-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol
SMILESCC(C)c1ccc(-c2nc3ccc(Cl)cc3o2)cc1O
InChIInChI=1S/C16H14ClNO2/c1-9(2)12-5-3-10(7-14(12)19)16-18-13-6-4-11(17)8-15(13)20-16/h3-9,19H,1-2H3
InChIKeyNBFFZZWLARJNGL-UHFFFAOYSA-N
MW287.75 g/mol
LogP4.98
Rot. Bonds2

About 5-(6-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol

5-(6-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol (PubChem CID 171512130) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 5-(6-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol.

Molecular Properties

Compound Name5-(6-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol
PubChem CID171512130
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name5-(6-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol
SMILESCC(C)c1ccc(-c2nc3ccc(Cl)cc3o2)cc1O
InChIInChI=1S/C16H14ClNO2/c1-9(2)12-5-3-10(7-14(12)19)16-18-13-6-4-11(17)8-15(13)20-16/h3-9,19H,1-2H3
InChIKeyNBFFZZWLARJNGL-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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Related Compounds

5-(4-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol
CID 171512125
2-(4-bromophenyl)-6-chloro-1,3-benzoxazole
CID 53497105
5-(7-methyl-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol
CID 171512133
2-chloro-4-[2-(4-fluoro-3-hydroxyphenyl)-1,3-benzoxazol-6-yl]phenol
CID 163234650
2-chloro-4-(6-chloro-1,3-benzoxazol-2-yl)aniline
CID 81433223
6-chloro-2-(1-methylindazol-6-yl)-1,3-benzoxazole
CID 139379765
2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393
3-(6-chloro-1,3-benzoxazol-2-yl)benzoic acid
CID 81434008
2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane
CID 166119017
2-[4-(6-chloro-1,3-benzoxazol-2-yl)anilino]ethanol
CID 81433846
5-(1,3-benzoxazol-2-yl)-2-propan-2-ylpyridin-3-ol
CID 168882947
1-[4-(1,3-benzoxazol-2-yl)-2-fluorophenyl]ethanol
CID 21413794

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol?
The IUPAC name of 5-(6-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol (CID 171512130) is 5-(6-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol.
What is the SMILES notation for 5-(6-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol?
The canonical SMILES for 5-(6-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol is CC(C)c1ccc(-c2nc3ccc(Cl)cc3o2)cc1O.
What is the InChIKey of 5-(6-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol?
The InChIKey is NBFFZZWLARJNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-9(2)12-5-3-10(7-14(12)19)16-18-13-6-4-11(17)8-15(13)20-16/h3-9,19H,1-2H3.
What are the key properties of 5-(6-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol?
5-(6-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-(6-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol is sourced from PubChem (CID 171512130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).