3-[2-(4-chloro-3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one

C16H14ClNO3 — CID 33276536

IUPAC3-[2-(4-chloro-3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one
SMILESCc1cc(OCCn2c(=O)oc3ccccc32)ccc1Cl
InChIInChI=1S/C16H14ClNO3/c1-11-10-12(6-7-13(11)17)20-9-8-18-14-4-2-3-5-15(14)21-16(18)19/h2-7,10H,8-9H2,1H3
InChIKeyKISSQYZMZCEUEY-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.64
Rot. Bonds4

About 3-[2-(4-chloro-3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one

3-[2-(4-chloro-3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one (PubChem CID 33276536) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 3-[2-(4-chloro-3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-(4-chloro-3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one
PubChem CID33276536
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name3-[2-(4-chloro-3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one
SMILESCc1cc(OCCn2c(=O)oc3ccccc32)ccc1Cl
InChIInChI=1S/C16H14ClNO3/c1-11-10-12(6-7-13(11)17)20-9-8-18-14-4-2-3-5-15(14)21-16(18)19/h2-7,10H,8-9H2,1H3
InChIKeyKISSQYZMZCEUEY-UHFFFAOYSA-N
XLogP3.64
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chloro-3-methylphenoxy)ethyl]-6-methyl-3,1-benzoxazine-2,4-dione
CID 18802463
1-[2-(4-chloro-3-methylphenoxy)ethyl]-8-methyl-3,1-benzoxazine-2,4-dione
CID 18803337
2-[2-(4-chloro-3-methylphenoxy)ethyl]isoindole-1,3-dione
CID 7542719
6-chloro-1-[4-(4-chloro-3-methylphenoxy)butyl]-3,1-benzoxazine-2,4-dione
CID 18803165
3-[3-(3-aminophenoxy)propyl]-1,3-benzoxazol-2-one
CID 43365775
3-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]-1,3-benzoxazol-2-one
CID 46573434
diethyl 2-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methylidene]propanedioate
CID 10295973
3-ethoxy-3-oxo-2-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methyl]propanoic acid
CID 10179028
methyl 2-[3-methyl-4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylamino]phenoxy]acetate
CID 60538641
3-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]-1,3-benzoxazol-2-one
CID 46484033
2-(2-oxo-1,3-benzoxazol-3-yl)ethyl methanesulfonate
CID 19418949
3-[2-(3-aminophenoxy)ethyl]-6-methyl-1,3-benzoxazol-2-one
CID 82344656

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chloro-3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-(4-chloro-3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one (CID 33276536) is 3-[2-(4-chloro-3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-(4-chloro-3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-(4-chloro-3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one is Cc1cc(OCCn2c(=O)oc3ccccc32)ccc1Cl.
What is the InChIKey of 3-[2-(4-chloro-3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one?
The InChIKey is KISSQYZMZCEUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-11-10-12(6-7-13(11)17)20-9-8-18-14-4-2-3-5-15(14)21-16(18)19/h2-7,10H,8-9H2,1H3.
What are the key properties of 3-[2-(4-chloro-3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one?
3-[2-(4-chloro-3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one has a molecular weight of 303.75 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chloro-3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 33276536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).