tert-butyl 2-[2-(2-chlorophenyl)phenoxy]acetate

C18H19ClO3 — CID 70673218

IUPACtert-butyl 2-[2-(2-chlorophenyl)phenoxy]acetate
SMILESCC(C)(C)OC(=O)COc1ccccc1-c1ccccc1Cl
InChIInChI=1S/C18H19ClO3/c1-18(2,3)22-17(20)12-21-16-11-7-5-9-14(16)13-8-4-6-10-15(13)19/h4-11H,12H2,1-3H3
InChIKeyNHWWUBXVFRNOCD-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.73
Rot. Bonds4

About tert-butyl 2-[2-(2-chlorophenyl)phenoxy]acetate

tert-butyl 2-[2-(2-chlorophenyl)phenoxy]acetate (PubChem CID 70673218) has the molecular formula C18H19ClO3 and a molecular weight of 318.80 g/mol. Its IUPAC name is tert-butyl 2-[2-(2-chlorophenyl)phenoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(2-chlorophenyl)phenoxy]acetate
PubChem CID70673218
Molecular FormulaC18H19ClO3
Molecular Weight318.80 g/mol
Exact Mass318.10
IUPAC Nametert-butyl 2-[2-(2-chlorophenyl)phenoxy]acetate
SMILESCC(C)(C)OC(=O)COc1ccccc1-c1ccccc1Cl
InChIInChI=1S/C18H19ClO3/c1-18(2,3)22-17(20)12-21-16-11-7-5-9-14(16)13-8-4-6-10-15(13)19/h4-11H,12H2,1-3H3
InChIKeyNHWWUBXVFRNOCD-UHFFFAOYSA-N
XLogP4.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(3-chloro-2-iodophenoxy)acetate
CID 16741488
tert-butyl 2-[2-(2-hydroxyethoxy)phenoxy]acetate
CID 142585494
tert-butyl 2-[2-[4-(benzenesulfonyl)phenyl]-4-chlorophenoxy]acetate
CID 86627028
tert-butyl 2-[4-chloro-2-(2-methyl-3-pyridinyl)phenoxy]acetate
CID 70673254
tert-butyl 2-(2-methoxy-2-oxoethoxy)benzoate
CID 134353565
[2-hydroxy-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium
CID 87491705
tert-butyl 2-[2-[2-(2-chlorophenyl)-4-phenylphenoxy]ethyl-methylamino]acetate
CID 70329366
tert-butyl 2-[4-chloro-2-(hydroxymethyl)phenoxy]acetate
CID 86631069
tert-butyl 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetate
CID 988856
tert-butyl 2-(4-chloro-2-formylphenoxy)acetate
CID 51357407
tert-butyl 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]acetate
CID 118095879
tert-butyl 2-(2,3-diformylphenoxy)acetate
CID 178004978

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(2-chlorophenyl)phenoxy]acetate?
The IUPAC name of tert-butyl 2-[2-(2-chlorophenyl)phenoxy]acetate (CID 70673218) is tert-butyl 2-[2-(2-chlorophenyl)phenoxy]acetate.
What is the SMILES notation for tert-butyl 2-[2-(2-chlorophenyl)phenoxy]acetate?
The canonical SMILES for tert-butyl 2-[2-(2-chlorophenyl)phenoxy]acetate is CC(C)(C)OC(=O)COc1ccccc1-c1ccccc1Cl.
What is the InChIKey of tert-butyl 2-[2-(2-chlorophenyl)phenoxy]acetate?
The InChIKey is NHWWUBXVFRNOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO3/c1-18(2,3)22-17(20)12-21-16-11-7-5-9-14(16)13-8-4-6-10-15(13)19/h4-11H,12H2,1-3H3.
What are the key properties of tert-butyl 2-[2-(2-chlorophenyl)phenoxy]acetate?
tert-butyl 2-[2-(2-chlorophenyl)phenoxy]acetate has a molecular weight of 318.80 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(2-chlorophenyl)phenoxy]acetate is sourced from PubChem (CID 70673218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).