propan-2-yl 3-(4-methoxyphenoxy)butanoate

C14H20O4 — CID 146594244

IUPACpropan-2-yl 3-(4-methoxyphenoxy)butanoate
SMILESCOc1ccc(OC(C)CC(=O)OC(C)C)cc1
InChIInChI=1S/C14H20O4/c1-10(2)17-14(15)9-11(3)18-13-7-5-12(16-4)6-8-13/h5-8,10-11H,9H2,1-4H3
InChIKeyWHWHKIUZSGQKBX-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.80
Rot. Bonds6

About propan-2-yl 3-(4-methoxyphenoxy)butanoate

propan-2-yl 3-(4-methoxyphenoxy)butanoate (PubChem CID 146594244) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is propan-2-yl 3-(4-methoxyphenoxy)butanoate.

Molecular Properties

Compound Namepropan-2-yl 3-(4-methoxyphenoxy)butanoate
PubChem CID146594244
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Namepropan-2-yl 3-(4-methoxyphenoxy)butanoate
SMILESCOc1ccc(OC(C)CC(=O)OC(C)C)cc1
InChIInChI=1S/C14H20O4/c1-10(2)17-14(15)9-11(3)18-13-7-5-12(16-4)6-8-13/h5-8,10-11H,9H2,1-4H3
InChIKeyWHWHKIUZSGQKBX-UHFFFAOYSA-N
XLogP2.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-methoxyphenoxy)butanoate
CID 43536008
methyl 3-(4-ethoxyphenoxy)butanoate
CID 43535934
propan-2-yl 2-(4-methoxyphenyl)sulfanylacetate
CID 60704324
methyl 3-[4-(4-methylphenyl)phenoxy]butanoate
CID 43536216
methyl 3-(4-ethylphenoxy)butanoate
CID 43535962
propan-2-yl 3-(3-methoxyphenyl)butanoate
CID 10799820
ethyl (3S)-3-[4-[4-[4-[(2S)-4-ethoxy-4-oxobutan-2-yl]oxyphenyl]phenyl]phenoxy]butanoate
CID 67763826
propan-2-yl 2-(4-propan-2-yloxyphenyl)acetate
CID 16637947
4-(4-chlorophenoxy)pentan-2-one
CID 64698945
propan-2-yl (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate
CID 129353793
propan-2-yl 2-[(4-methoxyphenyl)methylideneamino]acetate
CID 14076273
propan-2-yl 3-(2-methoxyphenyl)butanoate
CID 10609854

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(4-methoxyphenoxy)butanoate?
The IUPAC name of propan-2-yl 3-(4-methoxyphenoxy)butanoate (CID 146594244) is propan-2-yl 3-(4-methoxyphenoxy)butanoate.
What is the SMILES notation for propan-2-yl 3-(4-methoxyphenoxy)butanoate?
The canonical SMILES for propan-2-yl 3-(4-methoxyphenoxy)butanoate is COc1ccc(OC(C)CC(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 3-(4-methoxyphenoxy)butanoate?
The InChIKey is WHWHKIUZSGQKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-10(2)17-14(15)9-11(3)18-13-7-5-12(16-4)6-8-13/h5-8,10-11H,9H2,1-4H3.
What are the key properties of propan-2-yl 3-(4-methoxyphenoxy)butanoate?
propan-2-yl 3-(4-methoxyphenoxy)butanoate has a molecular weight of 252.31 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(4-methoxyphenoxy)butanoate is sourced from PubChem (CID 146594244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).