propan-2-yl 2-(2,4,6-trimethoxyphenyl)acetate

C14H20O5 — CID 96708288

IUPACpropan-2-yl 2-(2,4,6-trimethoxyphenyl)acetate
SMILESCOc1cc(OC)c(CC(=O)OC(C)C)c(OC)c1
InChIInChI=1S/C14H20O5/c1-9(2)19-14(15)8-11-12(17-4)6-10(16-3)7-13(11)18-5/h6-7,9H,8H2,1-5H3
InChIKeyDCACEOZPUHEVNV-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.21
Rot. Bonds6

About propan-2-yl 2-(2,4,6-trimethoxyphenyl)acetate

propan-2-yl 2-(2,4,6-trimethoxyphenyl)acetate (PubChem CID 96708288) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is propan-2-yl 2-(2,4,6-trimethoxyphenyl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(2,4,6-trimethoxyphenyl)acetate
PubChem CID96708288
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Namepropan-2-yl 2-(2,4,6-trimethoxyphenyl)acetate
SMILESCOc1cc(OC)c(CC(=O)OC(C)C)c(OC)c1
InChIInChI=1S/C14H20O5/c1-9(2)19-14(15)8-11-12(17-4)6-10(16-3)7-13(11)18-5/h6-7,9H,8H2,1-5H3
InChIKeyDCACEOZPUHEVNV-UHFFFAOYSA-N
XLogP2.21
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-(3-methoxy-4-methylphenyl)acetate
CID 112723040
propan-2-yl 2-(5-bromo-2-methoxyphenyl)acetate
CID 82550039
methyl 3-(2,4,6-trimethoxyphenyl)propanoate
CID 25107739
2-(2-ethyl-3,5-dimethoxyphenyl)acetic acid
CID 117321866
N-ethyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanamide
CID 43399013
1-cyclohexyl-2-(2,4,6-trimethoxyphenyl)ethanone
CID 102278898
propan-2-yl 2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]acetate
CID 82002031
ethyl 2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 61498510
(2R)-2-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119320832
2-(methylamino)-3-(2,4,6-trimethoxyphenyl)propanoic acid
CID 116932024
methyl 3-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 43344264
(3R)-3-(2,4,6-trimethoxyphenyl)butan-2-one
CID 86312414

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2,4,6-trimethoxyphenyl)acetate?
The IUPAC name of propan-2-yl 2-(2,4,6-trimethoxyphenyl)acetate (CID 96708288) is propan-2-yl 2-(2,4,6-trimethoxyphenyl)acetate.
What is the SMILES notation for propan-2-yl 2-(2,4,6-trimethoxyphenyl)acetate?
The canonical SMILES for propan-2-yl 2-(2,4,6-trimethoxyphenyl)acetate is COc1cc(OC)c(CC(=O)OC(C)C)c(OC)c1.
What is the InChIKey of propan-2-yl 2-(2,4,6-trimethoxyphenyl)acetate?
The InChIKey is DCACEOZPUHEVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-9(2)19-14(15)8-11-12(17-4)6-10(16-3)7-13(11)18-5/h6-7,9H,8H2,1-5H3.
What are the key properties of propan-2-yl 2-(2,4,6-trimethoxyphenyl)acetate?
propan-2-yl 2-(2,4,6-trimethoxyphenyl)acetate has a molecular weight of 268.31 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2,4,6-trimethoxyphenyl)acetate is sourced from PubChem (CID 96708288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).