[2-(4-fluoro-1,3-benzoxazol-2-yl)-4-propan-2-ylphenyl]methanol

C17H16FNO2 — CID 71141888

IUPAC[2-(4-fluoro-1,3-benzoxazol-2-yl)-4-propan-2-ylphenyl]methanol
SMILESCC(C)c1ccc(CO)c(-c2nc3c(F)cccc3o2)c1
InChIInChI=1S/C17H16FNO2/c1-10(2)11-6-7-12(9-20)13(8-11)17-19-16-14(18)4-3-5-15(16)21-17/h3-8,10,20H,9H2,1-2H3
InChIKeyVVPNILRSOAPLCU-UHFFFAOYSA-N
MW285.32 g/mol
LogP4.25
Rot. Bonds3

About [2-(4-fluoro-1,3-benzoxazol-2-yl)-4-propan-2-ylphenyl]methanol

[2-(4-fluoro-1,3-benzoxazol-2-yl)-4-propan-2-ylphenyl]methanol (PubChem CID 71141888) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is [2-(4-fluoro-1,3-benzoxazol-2-yl)-4-propan-2-ylphenyl]methanol.

Molecular Properties

Compound Name[2-(4-fluoro-1,3-benzoxazol-2-yl)-4-propan-2-ylphenyl]methanol
PubChem CID71141888
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name[2-(4-fluoro-1,3-benzoxazol-2-yl)-4-propan-2-ylphenyl]methanol
SMILESCC(C)c1ccc(CO)c(-c2nc3c(F)cccc3o2)c1
InChIInChI=1S/C17H16FNO2/c1-10(2)11-6-7-12(9-20)13(8-11)17-19-16-14(18)4-3-5-15(16)21-17/h3-8,10,20H,9H2,1-2H3
InChIKeyVVPNILRSOAPLCU-UHFFFAOYSA-N
XLogP4.25
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoro-1,3-benzoxazol-2-yl)-4-propan-2-ylphenyl]methanol?
The IUPAC name of [2-(4-fluoro-1,3-benzoxazol-2-yl)-4-propan-2-ylphenyl]methanol (CID 71141888) is [2-(4-fluoro-1,3-benzoxazol-2-yl)-4-propan-2-ylphenyl]methanol.
What is the SMILES notation for [2-(4-fluoro-1,3-benzoxazol-2-yl)-4-propan-2-ylphenyl]methanol?
The canonical SMILES for [2-(4-fluoro-1,3-benzoxazol-2-yl)-4-propan-2-ylphenyl]methanol is CC(C)c1ccc(CO)c(-c2nc3c(F)cccc3o2)c1.
What is the InChIKey of [2-(4-fluoro-1,3-benzoxazol-2-yl)-4-propan-2-ylphenyl]methanol?
The InChIKey is VVPNILRSOAPLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-10(2)11-6-7-12(9-20)13(8-11)17-19-16-14(18)4-3-5-15(16)21-17/h3-8,10,20H,9H2,1-2H3.
What are the key properties of [2-(4-fluoro-1,3-benzoxazol-2-yl)-4-propan-2-ylphenyl]methanol?
[2-(4-fluoro-1,3-benzoxazol-2-yl)-4-propan-2-ylphenyl]methanol has a molecular weight of 285.32 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-1,3-benzoxazol-2-yl)-4-propan-2-ylphenyl]methanol is sourced from PubChem (CID 71141888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).