methyl 2-(2-ethyl-4-propan-2-yloxyphenyl)acetate

C14H20O3 — CID 82552006

IUPACmethyl 2-(2-ethyl-4-propan-2-yloxyphenyl)acetate
SMILESCCc1cc(OC(C)C)ccc1CC(=O)OC
InChIInChI=1S/C14H20O3/c1-5-11-8-13(17-10(2)3)7-6-12(11)9-14(15)16-4/h6-8,10H,5,9H2,1-4H3
InChIKeyWNFGPXRNOAJFTC-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.75
Rot. Bonds5

About methyl 2-(2-ethyl-4-propan-2-yloxyphenyl)acetate

methyl 2-(2-ethyl-4-propan-2-yloxyphenyl)acetate (PubChem CID 82552006) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 2-(2-ethyl-4-propan-2-yloxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-ethyl-4-propan-2-yloxyphenyl)acetate
PubChem CID82552006
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namemethyl 2-(2-ethyl-4-propan-2-yloxyphenyl)acetate
SMILESCCc1cc(OC(C)C)ccc1CC(=O)OC
InChIInChI=1S/C14H20O3/c1-5-11-8-13(17-10(2)3)7-6-12(11)9-14(15)16-4/h6-8,10H,5,9H2,1-4H3
InChIKeyWNFGPXRNOAJFTC-UHFFFAOYSA-N
XLogP2.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999181
ethyl 2-(2-hydroxy-5-propan-2-yloxyphenyl)acetate
CID 82553048
propan-2-yl 2-ethyl-4-propan-2-yloxybenzoate
CID 82552007
1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine
CID 82267415
methyl 2-(2-acetyl-5-methoxyphenyl)acetate
CID 10632802
N-[(2-methoxy-5-propan-2-yloxyphenyl)methyl]ethanamine
CID 82553016
methyl 2-(4-propan-2-yloxynaphthalen-1-yl)acetate
CID 82550297
methyl 3-(4-ethoxy-2-ethylphenyl)propanoate
CID 82552040
methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356355
methyl 2-(5-propan-2-yloxy-2-pyridinyl)acetate;(5-propan-2-yloxy-2-pyridinyl)methanol
CID 68550824
methyl 2-(5-methoxy-2-methylphenyl)acetate
CID 170997183
2-(2-methyl-4-propan-2-yloxyphenyl)acetic acid
CID 82264574

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethyl-4-propan-2-yloxyphenyl)acetate?
The IUPAC name of methyl 2-(2-ethyl-4-propan-2-yloxyphenyl)acetate (CID 82552006) is methyl 2-(2-ethyl-4-propan-2-yloxyphenyl)acetate.
What is the SMILES notation for methyl 2-(2-ethyl-4-propan-2-yloxyphenyl)acetate?
The canonical SMILES for methyl 2-(2-ethyl-4-propan-2-yloxyphenyl)acetate is CCc1cc(OC(C)C)ccc1CC(=O)OC.
What is the InChIKey of methyl 2-(2-ethyl-4-propan-2-yloxyphenyl)acetate?
The InChIKey is WNFGPXRNOAJFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-11-8-13(17-10(2)3)7-6-12(11)9-14(15)16-4/h6-8,10H,5,9H2,1-4H3.
What are the key properties of methyl 2-(2-ethyl-4-propan-2-yloxyphenyl)acetate?
methyl 2-(2-ethyl-4-propan-2-yloxyphenyl)acetate has a molecular weight of 236.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethyl-4-propan-2-yloxyphenyl)acetate is sourced from PubChem (CID 82552006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).