3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one

C16H15NO3 — CID 2145509

IUPAC3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one
SMILESCc1ccccc1OCCn1c(=O)oc2ccccc21
InChIInChI=1S/C16H15NO3/c1-12-6-2-4-8-14(12)19-11-10-17-13-7-3-5-9-15(13)20-16(17)18/h2-9H,10-11H2,1H3
InChIKeyQQBRYJLCFWDHIG-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.98
Rot. Bonds4

About 3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one

3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one (PubChem CID 2145509) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one
PubChem CID2145509
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one
SMILESCc1ccccc1OCCn1c(=O)oc2ccccc21
InChIInChI=1S/C16H15NO3/c1-12-6-2-4-8-14(12)19-11-10-17-13-7-3-5-9-15(13)20-16(17)18/h2-9H,10-11H2,1H3
InChIKeyQQBRYJLCFWDHIG-UHFFFAOYSA-N
XLogP2.98
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one (CID 2145509) is 3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one is Cc1ccccc1OCCn1c(=O)oc2ccccc21.
What is the InChIKey of 3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one?
The InChIKey is QQBRYJLCFWDHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-12-6-2-4-8-14(12)19-11-10-17-13-7-3-5-9-15(13)20-16(17)18/h2-9H,10-11H2,1H3.
What are the key properties of 3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one?
3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one has a molecular weight of 269.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 2145509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).