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

C16H15NO3 — CID 62299846

IUPAC6-[hydroxy-(3-methylphenyl)methyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCc1cccc(C(O)c2ccc3c(c2)oc(=O)n3C)c1
InChIInChI=1S/C16H15NO3/c1-10-4-3-5-11(8-10)15(18)12-6-7-13-14(9-12)20-16(19)17(13)2/h3-9,15,18H,1-2H3
InChIKeyGVHKQZPRHARSPC-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.52
Rot. Bonds2

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

6-[hydroxy-(3-methylphenyl)methyl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 62299846) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 6-[hydroxy-(3-methylphenyl)methyl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[hydroxy-(3-methylphenyl)methyl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID62299846
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name6-[hydroxy-(3-methylphenyl)methyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCc1cccc(C(O)c2ccc3c(c2)oc(=O)n3C)c1
InChIInChI=1S/C16H15NO3/c1-10-4-3-5-11(8-10)15(18)12-6-7-13-14(9-12)20-16(19)17(13)2/h3-9,15,18H,1-2H3
InChIKeyGVHKQZPRHARSPC-UHFFFAOYSA-N
XLogP2.52
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[hydroxy-(3-methylphenyl)methyl]-3-methyl-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-[chloro-(3-methylphenyl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 62298792
6-[furan-2-yl(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 62300199
6-[hydroxy-(2-iodophenyl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 62299317
6-[1-bromo-2-(3-methylphenyl)ethyl]-3-methyl-1,3-benzoxazol-2-one
CID 62389619
6-[(5-chlorofuran-2-yl)-hydroxymethyl]-3-methyl-1,3-benzoxazol-2-one
CID 106688887
6-[(3-bromo-5-fluorophenyl)-hydroxymethyl]-3-methyl-1,3-benzoxazol-2-one
CID 62299494
3-methyl-6-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-benzoxazol-2-one
CID 62298959
6-[hydroxy-(3-methylphenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 61089164
6-[(2,5-dichlorophenyl)-hydroxymethyl]-3-methyl-1,3-benzoxazol-2-one
CID 62299318
6-[(2,4-dichlorophenyl)-hydroxymethyl]-3-methyl-1,3-benzoxazol-2-one
CID 42600742
6-[amino-(3-bromophenyl)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 62275350
6-[(3-bromothiophen-2-yl)-hydroxymethyl]-3-methyl-1,3-benzoxazol-2-one
CID 63796801

Frequently Asked Questions

What is the IUPAC name of 6-[hydroxy-(3-methylphenyl)methyl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[hydroxy-(3-methylphenyl)methyl]-3-methyl-1,3-benzoxazol-2-one (CID 62299846) is 6-[hydroxy-(3-methylphenyl)methyl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[hydroxy-(3-methylphenyl)methyl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[hydroxy-(3-methylphenyl)methyl]-3-methyl-1,3-benzoxazol-2-one is Cc1cccc(C(O)c2ccc3c(c2)oc(=O)n3C)c1.
What is the InChIKey of 6-[hydroxy-(3-methylphenyl)methyl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is GVHKQZPRHARSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-10-4-3-5-11(8-10)15(18)12-6-7-13-14(9-12)20-16(19)17(13)2/h3-9,15,18H,1-2H3.
What are the key properties of 6-[hydroxy-(3-methylphenyl)methyl]-3-methyl-1,3-benzoxazol-2-one?
6-[hydroxy-(3-methylphenyl)methyl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 269.30 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hydroxy-(3-methylphenyl)methyl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 62299846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).