1-(5-fluoro-1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)ethanol

C16H14FNO3 — CID 175567545

IUPAC1-(5-fluoro-1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(C)(O)c2nc3cc(F)ccc3o2)cc1
InChIInChI=1S/C16H14FNO3/c1-16(19,10-3-6-12(20-2)7-4-10)15-18-13-9-11(17)5-8-14(13)21-15/h3-9,19H,1-2H3
InChIKeyMMGWTXMYXPJDLH-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.23
Rot. Bonds3

About 1-(5-fluoro-1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)ethanol

1-(5-fluoro-1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)ethanol (PubChem CID 175567545) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 1-(5-fluoro-1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(5-fluoro-1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)ethanol
PubChem CID175567545
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name1-(5-fluoro-1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(C)(O)c2nc3cc(F)ccc3o2)cc1
InChIInChI=1S/C16H14FNO3/c1-16(19,10-3-6-12(20-2)7-4-10)15-18-13-9-11(17)5-8-14(13)21-15/h3-9,19H,1-2H3
InChIKeyMMGWTXMYXPJDLH-UHFFFAOYSA-N
XLogP3.23
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluoro-2-methylphenyl)-1-(4-methoxyphenyl)ethanol
CID 62787280
2-(5-fluoro-1,3-benzoxazol-2-yl)butan-2-amine
CID 79799236
(1R)-1-(1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)butan-1-ol
CID 171485639
4-fluoro-2-(5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 102697020
5-fluoro-2-(5-methoxy-1,3-benzoxazol-2-yl)aniline
CID 102696750
5-tert-butyl-2-(2,4-difluorophenyl)-1,3-benzoxazole
CID 46089030
5-tert-butyl-2-(2,5-difluorophenyl)-1,3-benzoxazole
CID 46089031
5-tert-butyl-2-(3-methylpentan-3-yl)-1,3-benzoxazole
CID 122642760
5-tert-butyl-2-[(2,5-dimethoxyphenyl)methyl]-1,3-benzoxazole
CID 53418546
2-(6-fluoro-1,3-benzoxazol-2-yl)propan-2-amine
CID 63676578
cyclopropyl-(4-fluorophenyl)-(4-methoxyphenyl)methanol
CID 154301932
5-tert-butyl-2-(3,5-difluorophenyl)-1,3-benzoxazole
CID 46089033

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 1-(5-fluoro-1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)ethanol (CID 175567545) is 1-(5-fluoro-1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(5-fluoro-1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 1-(5-fluoro-1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)ethanol is COc1ccc(C(C)(O)c2nc3cc(F)ccc3o2)cc1.
What is the InChIKey of 1-(5-fluoro-1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)ethanol?
The InChIKey is MMGWTXMYXPJDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-16(19,10-3-6-12(20-2)7-4-10)15-18-13-9-11(17)5-8-14(13)21-15/h3-9,19H,1-2H3.
What are the key properties of 1-(5-fluoro-1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)ethanol?
1-(5-fluoro-1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)ethanol has a molecular weight of 287.29 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1,3-benzoxazol-2-yl)-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 175567545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).