ethyl 2-[(2-methoxy-5-propan-2-ylphenyl)methoxy]acetate

C15H22O4 — CID 130325605

IUPACethyl 2-[(2-methoxy-5-propan-2-ylphenyl)methoxy]acetate
SMILESCCOC(=O)COCc1cc(C(C)C)ccc1OC
InChIInChI=1S/C15H22O4/c1-5-19-15(16)10-18-9-13-8-12(11(2)3)6-7-14(13)17-4/h6-8,11H,5,9-10H2,1-4H3
InChIKeyONKVBPBDBZBSEG-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.90
Rot. Bonds7

About ethyl 2-[(2-methoxy-5-propan-2-ylphenyl)methoxy]acetate

ethyl 2-[(2-methoxy-5-propan-2-ylphenyl)methoxy]acetate (PubChem CID 130325605) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-[(2-methoxy-5-propan-2-ylphenyl)methoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-methoxy-5-propan-2-ylphenyl)methoxy]acetate
PubChem CID130325605
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Nameethyl 2-[(2-methoxy-5-propan-2-ylphenyl)methoxy]acetate
SMILESCCOC(=O)COCc1cc(C(C)C)ccc1OC
InChIInChI=1S/C15H22O4/c1-5-19-15(16)10-18-9-13-8-12(11(2)3)6-7-14(13)17-4/h6-8,11H,5,9-10H2,1-4H3
InChIKeyONKVBPBDBZBSEG-UHFFFAOYSA-N
XLogP2.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxy-5-propan-2-ylphenyl)methoxy]-N-methylacetohydrazide
CID 116845331
1-[(2-methoxy-5-propan-2-ylphenyl)methoxy]butan-2-amine
CID 82353795
N-ethyl-2-[(2-methoxy-5-propan-2-ylphenyl)methoxy]ethanamine
CID 82353953
2-[(2-ethoxy-4-propan-2-ylphenyl)methoxy]acetamide
CID 165397261
ethyl 2-[[5-(1-aminoethyl)-2-methoxyphenyl]methylsulfonyl]acetate
CID 64674783
ethyl 2-methoxy-4-propan-2-ylbenzoate
CID 116964804
ethyl 2-(2-fluoro-5-propan-2-ylphenoxy)acetate
CID 137495372
4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline
CID 82354174
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
CID 110780628
methyl 5-(2-methoxy-5-propan-2-ylphenyl)-3-oxopentanoate
CID 54410073
2-amino-3-(2-methoxy-5-propan-2-ylphenyl)-N'-methylpropanehydrazide
CID 116849515
ethyl (3S)-3-amino-2-fluoro-3-(2-methoxy-5-propan-2-ylphenyl)propanoate;hydrochloride
CID 171251861

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methoxy-5-propan-2-ylphenyl)methoxy]acetate?
The IUPAC name of ethyl 2-[(2-methoxy-5-propan-2-ylphenyl)methoxy]acetate (CID 130325605) is ethyl 2-[(2-methoxy-5-propan-2-ylphenyl)methoxy]acetate.
What is the SMILES notation for ethyl 2-[(2-methoxy-5-propan-2-ylphenyl)methoxy]acetate?
The canonical SMILES for ethyl 2-[(2-methoxy-5-propan-2-ylphenyl)methoxy]acetate is CCOC(=O)COCc1cc(C(C)C)ccc1OC.
What is the InChIKey of ethyl 2-[(2-methoxy-5-propan-2-ylphenyl)methoxy]acetate?
The InChIKey is ONKVBPBDBZBSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-5-19-15(16)10-18-9-13-8-12(11(2)3)6-7-14(13)17-4/h6-8,11H,5,9-10H2,1-4H3.
What are the key properties of ethyl 2-[(2-methoxy-5-propan-2-ylphenyl)methoxy]acetate?
ethyl 2-[(2-methoxy-5-propan-2-ylphenyl)methoxy]acetate has a molecular weight of 266.34 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methoxy-5-propan-2-ylphenyl)methoxy]acetate is sourced from PubChem (CID 130325605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).