3-[(3-hydroxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one

C15H13NO3 — CID 44631884

IUPAC3-[(3-hydroxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one
SMILESCc1ccc2oc(=O)n(Cc3cccc(O)c3)c2c1
InChIInChI=1S/C15H13NO3/c1-10-5-6-14-13(7-10)16(15(18)19-14)9-11-3-2-4-12(17)8-11/h2-8,17H,9H2,1H3
InChIKeyJJXKGUBHEQGADG-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.66
Rot. Bonds2

About 3-[(3-hydroxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one

3-[(3-hydroxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one (PubChem CID 44631884) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-[(3-hydroxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[(3-hydroxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one
PubChem CID44631884
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name3-[(3-hydroxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one
SMILESCc1ccc2oc(=O)n(Cc3cccc(O)c3)c2c1
InChIInChI=1S/C15H13NO3/c1-10-5-6-14-13(7-10)16(15(18)19-14)9-11-3-2-4-12(17)8-11/h2-8,17H,9H2,1H3
InChIKeyJJXKGUBHEQGADG-UHFFFAOYSA-N
XLogP2.66
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-[(3-hydroxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one (CID 44631884) is 3-[(3-hydroxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[(3-hydroxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[(3-hydroxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one is Cc1ccc2oc(=O)n(Cc3cccc(O)c3)c2c1.
What is the InChIKey of 3-[(3-hydroxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one?
The InChIKey is JJXKGUBHEQGADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-10-5-6-14-13(7-10)16(15(18)19-14)9-11-3-2-4-12(17)8-11/h2-8,17H,9H2,1H3.
What are the key properties of 3-[(3-hydroxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one?
3-[(3-hydroxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one has a molecular weight of 255.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 44631884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).