1-[4-(1,3-benzoxazol-2-yl)-2-fluorophenyl]ethanol

C15H12FNO2 — CID 21413794

IUPAC1-[4-(1,3-benzoxazol-2-yl)-2-fluorophenyl]ethanol
SMILESCC(O)c1ccc(-c2nc3ccccc3o2)cc1F
InChIInChI=1S/C15H12FNO2/c1-9(18)11-7-6-10(8-12(11)16)15-17-13-4-2-3-5-14(13)19-15/h2-9,18H,1H3
InChIKeyYFWGMSQQJYRILK-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.69
Rot. Bonds2

About 1-[4-(1,3-benzoxazol-2-yl)-2-fluorophenyl]ethanol

1-[4-(1,3-benzoxazol-2-yl)-2-fluorophenyl]ethanol (PubChem CID 21413794) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 1-[4-(1,3-benzoxazol-2-yl)-2-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[4-(1,3-benzoxazol-2-yl)-2-fluorophenyl]ethanol
PubChem CID21413794
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name1-[4-(1,3-benzoxazol-2-yl)-2-fluorophenyl]ethanol
SMILESCC(O)c1ccc(-c2nc3ccccc3o2)cc1F
InChIInChI=1S/C15H12FNO2/c1-9(18)11-7-6-10(8-12(11)16)15-17-13-4-2-3-5-14(13)19-15/h2-9,18H,1H3
InChIKeyYFWGMSQQJYRILK-UHFFFAOYSA-N
XLogP3.69
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole
CID 171056346
2-[4-(1-bromoethyl)phenyl]-1,3-benzoxazole
CID 23459165
(1S)-1-[4-(1,3-benzoxazol-2-yl)phenyl]ethanamine
CID 14093478
acetic acid;2-(4-fluorophenyl)-1,3-benzoxazole;methane
CID 175273673
2-[4-(1,3-benzoxazol-2-yl)-3-fluorophenyl]propan-1-ol
CID 21413849
1-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]propan-2-ol
CID 67497945
2-[6-[4-(3-fluorophenyl)phenyl]naphthalen-2-yl]-1,3-benzoxazole
CID 171056538
(2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)propanamide
CID 42280167
2-(3,5-dimethylphenyl)-1,3-benzoxazole
CID 23722944
3,5-bis(1,3-benzoxazol-2-yl)phenol
CID 17341213
2-[4-(4-ethoxyphenyl)-2-fluorophenyl]-1,3-benzoxazole
CID 122387572

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzoxazol-2-yl)-2-fluorophenyl]ethanol?
The IUPAC name of 1-[4-(1,3-benzoxazol-2-yl)-2-fluorophenyl]ethanol (CID 21413794) is 1-[4-(1,3-benzoxazol-2-yl)-2-fluorophenyl]ethanol.
What is the SMILES notation for 1-[4-(1,3-benzoxazol-2-yl)-2-fluorophenyl]ethanol?
The canonical SMILES for 1-[4-(1,3-benzoxazol-2-yl)-2-fluorophenyl]ethanol is CC(O)c1ccc(-c2nc3ccccc3o2)cc1F.
What is the InChIKey of 1-[4-(1,3-benzoxazol-2-yl)-2-fluorophenyl]ethanol?
The InChIKey is YFWGMSQQJYRILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c1-9(18)11-7-6-10(8-12(11)16)15-17-13-4-2-3-5-14(13)19-15/h2-9,18H,1H3.
What are the key properties of 1-[4-(1,3-benzoxazol-2-yl)-2-fluorophenyl]ethanol?
1-[4-(1,3-benzoxazol-2-yl)-2-fluorophenyl]ethanol has a molecular weight of 257.26 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzoxazol-2-yl)-2-fluorophenyl]ethanol is sourced from PubChem (CID 21413794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).