2-chloro-4-[2-(4-fluoro-3-hydroxyphenyl)-1,3-benzoxazol-6-yl]phenol

C19H11ClFNO3 — CID 163234650

IUPAC2-chloro-4-[2-(4-fluoro-3-hydroxyphenyl)-1,3-benzoxazol-6-yl]phenol
SMILESOc1cc(-c2nc3ccc(-c4ccc(O)c(Cl)c4)cc3o2)ccc1F
InChIInChI=1S/C19H11ClFNO3/c20-13-7-10(3-6-16(13)23)11-2-5-15-18(9-11)25-19(22-15)12-1-4-14(21)17(24)8-12/h1-9,23-24H
InChIKeyXOGHYOOWPBUJNI-UHFFFAOYSA-N
MW355.75 g/mol
LogP5.37
Rot. Bonds2

About 2-chloro-4-[2-(4-fluoro-3-hydroxyphenyl)-1,3-benzoxazol-6-yl]phenol

2-chloro-4-[2-(4-fluoro-3-hydroxyphenyl)-1,3-benzoxazol-6-yl]phenol (PubChem CID 163234650) has the molecular formula C19H11ClFNO3 and a molecular weight of 355.75 g/mol. Its IUPAC name is 2-chloro-4-[2-(4-fluoro-3-hydroxyphenyl)-1,3-benzoxazol-6-yl]phenol.

Molecular Properties

Compound Name2-chloro-4-[2-(4-fluoro-3-hydroxyphenyl)-1,3-benzoxazol-6-yl]phenol
PubChem CID163234650
Molecular FormulaC19H11ClFNO3
Molecular Weight355.75 g/mol
Exact Mass355.04
IUPAC Name2-chloro-4-[2-(4-fluoro-3-hydroxyphenyl)-1,3-benzoxazol-6-yl]phenol
SMILESOc1cc(-c2nc3ccc(-c4ccc(O)c(Cl)c4)cc3o2)ccc1F
InChIInChI=1S/C19H11ClFNO3/c20-13-7-10(3-6-16(13)23)11-2-5-15-18(9-11)25-19(22-15)12-1-4-14(21)17(24)8-12/h1-9,23-24H
InChIKeyXOGHYOOWPBUJNI-UHFFFAOYSA-N
XLogP5.37
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.75
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(6-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol
CID 171512130
2-chloro-4-(6-chloro-1,3-benzoxazol-2-yl)aniline
CID 81433223
4-[2-(3-fluorophenyl)-1,3-benzoxazol-6-yl]phenol
CID 155757362
2-(4-bromophenyl)-6-chloro-1,3-benzoxazole
CID 53497105
2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393
2-(3,4-difluorophenyl)-1,3-benzoxazole-6-carboxylic acid
CID 59626001
[2-(3,4-dichlorophenyl)-1,3-benzoxazol-6-yl]methanamine
CID 82357445
2-[4-(6-chloro-1,3-benzoxazol-2-yl)anilino]ethanol
CID 81433846
2-(3-bromo-4-fluorophenyl)-1,3-benzoxazol-6-amine
CID 103695116
2-chloro-4-(3,4,5-trifluorophenyl)phenol
CID 83130414
4-bromo-2-[[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]iminomethyl]phenol
CID 3502614
4-[(4-chlorophenyl)diazenyl]-2-[[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol
CID 5146852

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(4-fluoro-3-hydroxyphenyl)-1,3-benzoxazol-6-yl]phenol?
The IUPAC name of 2-chloro-4-[2-(4-fluoro-3-hydroxyphenyl)-1,3-benzoxazol-6-yl]phenol (CID 163234650) is 2-chloro-4-[2-(4-fluoro-3-hydroxyphenyl)-1,3-benzoxazol-6-yl]phenol.
What is the SMILES notation for 2-chloro-4-[2-(4-fluoro-3-hydroxyphenyl)-1,3-benzoxazol-6-yl]phenol?
The canonical SMILES for 2-chloro-4-[2-(4-fluoro-3-hydroxyphenyl)-1,3-benzoxazol-6-yl]phenol is Oc1cc(-c2nc3ccc(-c4ccc(O)c(Cl)c4)cc3o2)ccc1F.
What is the InChIKey of 2-chloro-4-[2-(4-fluoro-3-hydroxyphenyl)-1,3-benzoxazol-6-yl]phenol?
The InChIKey is XOGHYOOWPBUJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFNO3/c20-13-7-10(3-6-16(13)23)11-2-5-15-18(9-11)25-19(22-15)12-1-4-14(21)17(24)8-12/h1-9,23-24H.
What are the key properties of 2-chloro-4-[2-(4-fluoro-3-hydroxyphenyl)-1,3-benzoxazol-6-yl]phenol?
2-chloro-4-[2-(4-fluoro-3-hydroxyphenyl)-1,3-benzoxazol-6-yl]phenol has a molecular weight of 355.75 g/mol, XLogP of 5.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(4-fluoro-3-hydroxyphenyl)-1,3-benzoxazol-6-yl]phenol is sourced from PubChem (CID 163234650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).