3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-benzoxazol-2-one

C19H21NO3 — CID 2147691

IUPAC3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-benzoxazol-2-one
SMILESCc1ccc(C(C)C)c(OCCn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C19H21NO3/c1-13(2)15-9-8-14(3)12-18(15)22-11-10-20-16-6-4-5-7-17(16)23-19(20)21/h4-9,12-13H,10-11H2,1-3H3
InChIKeyGWAXSVQSMDRLQT-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.11
Rot. Bonds5

About 3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-benzoxazol-2-one

3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-benzoxazol-2-one (PubChem CID 2147691) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-benzoxazol-2-one
PubChem CID2147691
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-benzoxazol-2-one
SMILESCc1ccc(C(C)C)c(OCCn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C19H21NO3/c1-13(2)15-9-8-14(3)12-18(15)22-11-10-20-16-6-4-5-7-17(16)23-19(20)21/h4-9,12-13H,10-11H2,1-3H3
InChIKeyGWAXSVQSMDRLQT-UHFFFAOYSA-N
XLogP4.11
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-benzoxazol-2-one (CID 2147691) is 3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-benzoxazol-2-one is Cc1ccc(C(C)C)c(OCCn2c(=O)oc3ccccc32)c1.
What is the InChIKey of 3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-benzoxazol-2-one?
The InChIKey is GWAXSVQSMDRLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13(2)15-9-8-14(3)12-18(15)22-11-10-20-16-6-4-5-7-17(16)23-19(20)21/h4-9,12-13H,10-11H2,1-3H3.
What are the key properties of 3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-benzoxazol-2-one?
3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-benzoxazol-2-one has a molecular weight of 311.38 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 2147691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).