ethyl 2-[4-[(4-chlorophenyl)methoxy]phenoxy]-2-methylpropanoate

C19H21ClO4 — CID 3040761

IUPACethyl 2-[4-[(4-chlorophenyl)methoxy]phenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClO4/c1-4-22-18(21)19(2,3)24-17-11-9-16(10-12-17)23-13-14-5-7-15(20)8-6-14/h5-12H,4,13H2,1-3H3
InChIKeyDNTQHTSNFFZOSB-UHFFFAOYSA-N
MW348.83 g/mol
LogP4.64
Rot. Bonds7

About ethyl 2-[4-[(4-chlorophenyl)methoxy]phenoxy]-2-methylpropanoate

ethyl 2-[4-[(4-chlorophenyl)methoxy]phenoxy]-2-methylpropanoate (PubChem CID 3040761) has the molecular formula C19H21ClO4 and a molecular weight of 348.83 g/mol. Its IUPAC name is ethyl 2-[4-[(4-chlorophenyl)methoxy]phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[4-[(4-chlorophenyl)methoxy]phenoxy]-2-methylpropanoate
PubChem CID3040761
Molecular FormulaC19H21ClO4
Molecular Weight348.83 g/mol
Exact Mass348.11
IUPAC Nameethyl 2-[4-[(4-chlorophenyl)methoxy]phenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClO4/c1-4-22-18(21)19(2,3)24-17-11-9-16(10-12-17)23-13-14-5-7-15(20)8-6-14/h5-12H,4,13H2,1-3H3
InChIKeyDNTQHTSNFFZOSB-UHFFFAOYSA-N
XLogP4.64
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(4-chlorophenyl)methoxy]phenoxy]-2-methylpropanoate?
The IUPAC name of ethyl 2-[4-[(4-chlorophenyl)methoxy]phenoxy]-2-methylpropanoate (CID 3040761) is ethyl 2-[4-[(4-chlorophenyl)methoxy]phenoxy]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[4-[(4-chlorophenyl)methoxy]phenoxy]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[4-[(4-chlorophenyl)methoxy]phenoxy]-2-methylpropanoate is CCOC(=O)C(C)(C)Oc1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of ethyl 2-[4-[(4-chlorophenyl)methoxy]phenoxy]-2-methylpropanoate?
The InChIKey is DNTQHTSNFFZOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClO4/c1-4-22-18(21)19(2,3)24-17-11-9-16(10-12-17)23-13-14-5-7-15(20)8-6-14/h5-12H,4,13H2,1-3H3.
What are the key properties of ethyl 2-[4-[(4-chlorophenyl)methoxy]phenoxy]-2-methylpropanoate?
ethyl 2-[4-[(4-chlorophenyl)methoxy]phenoxy]-2-methylpropanoate has a molecular weight of 348.83 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(4-chlorophenyl)methoxy]phenoxy]-2-methylpropanoate is sourced from PubChem (CID 3040761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).