6-[hydroxy-(3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one

C15H13NO3 — CID 61089164

IUPAC6-[hydroxy-(3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one
SMILESCc1cccc(C(O)c2ccc3[nH]c(=O)oc3c2)c1
InChIInChI=1S/C15H13NO3/c1-9-3-2-4-10(7-9)14(17)11-5-6-12-13(8-11)19-15(18)16-12/h2-8,14,17H,1H3,(H,16,18)
InChIKeyPQVWRNVNEIATHJ-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.51
Rot. Bonds2

About 6-[hydroxy-(3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one

6-[hydroxy-(3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one (PubChem CID 61089164) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 6-[hydroxy-(3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[hydroxy-(3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one
PubChem CID61089164
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name6-[hydroxy-(3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one
SMILESCc1cccc(C(O)c2ccc3[nH]c(=O)oc3c2)c1
InChIInChI=1S/C15H13NO3/c1-9-3-2-4-10(7-9)14(17)11-5-6-12-13(8-11)19-15(18)16-12/h2-8,14,17H,1H3,(H,16,18)
InChIKeyPQVWRNVNEIATHJ-UHFFFAOYSA-N
XLogP2.51
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[hydroxy-(3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[bromo-(3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 61098959
6-[(3-bromo-4-methylphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 81475814
6-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 81477930
6-[(2,6-difluorophenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 61089170
6-[hydroxy(pyridin-4-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 114996939
6-[hydroxy-(5-methylthiophen-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 61089349
6-[hydroxy-(3-methylfuran-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 61089347
6-[(4-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 61087841
6-[bromo-(3,5-dimethylphenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 61096755
6-[hydroxy-(3-methylphenyl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 62299846
6-[chloro-(3-iodophenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 61084010
6-[(2-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 61089330

Frequently Asked Questions

What is the IUPAC name of 6-[hydroxy-(3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[hydroxy-(3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one (CID 61089164) is 6-[hydroxy-(3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[hydroxy-(3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[hydroxy-(3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one is Cc1cccc(C(O)c2ccc3[nH]c(=O)oc3c2)c1.
What is the InChIKey of 6-[hydroxy-(3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is PQVWRNVNEIATHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-9-3-2-4-10(7-9)14(17)11-5-6-12-13(8-11)19-15(18)16-12/h2-8,14,17H,1H3,(H,16,18).
What are the key properties of 6-[hydroxy-(3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one?
6-[hydroxy-(3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 255.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hydroxy-(3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 61089164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).