6-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one

C15H12FNO3 — CID 81477930

IUPAC6-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
SMILESCc1cccc(C(O)c2ccc3[nH]c(=O)oc3c2)c1F
InChIInChI=1S/C15H12FNO3/c1-8-3-2-4-10(13(8)16)14(18)9-5-6-11-12(7-9)20-15(19)17-11/h2-7,14,18H,1H3,(H,17,19)
InChIKeyOKKIQKBYROLNDX-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.65
Rot. Bonds2

About 6-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one

6-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one (PubChem CID 81477930) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is 6-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
PubChem CID81477930
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name6-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
SMILESCc1cccc(C(O)c2ccc3[nH]c(=O)oc3c2)c1F
InChIInChI=1S/C15H12FNO3/c1-8-3-2-4-10(13(8)16)14(18)9-5-6-11-12(7-9)20-15(19)17-11/h2-7,14,18H,1H3,(H,17,19)
InChIKeyOKKIQKBYROLNDX-UHFFFAOYSA-N
XLogP2.65
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[hydroxy-(3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 61089164
6-[(2,6-difluorophenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 61089170
6-[(2-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 61089330
6-[(3-bromo-4-methylphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 81475814
6-[hydroxy-(3-methylfuran-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 61089347
6-[hydroxy-(5-methylthiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 61089349
6-[(2-bromofuran-3-yl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 106855347
6-[ethylamino-(2-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 43492593
6-[(4-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 61087841
(3,4-difluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81477927
6-[hydroxy(pyridin-4-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 114996939
6-[amino-(2,6-difluoro-3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 82797093

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one (CID 81477930) is 6-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one is Cc1cccc(C(O)c2ccc3[nH]c(=O)oc3c2)c1F.
What is the InChIKey of 6-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is OKKIQKBYROLNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c1-8-3-2-4-10(13(8)16)14(18)9-5-6-11-12(7-9)20-15(19)17-11/h2-7,14,18H,1H3,(H,17,19).
What are the key properties of 6-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one?
6-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 273.26 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 81477930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).