ethyl 2-(2-methyl-6-propanoylphenyl)acetate

C14H18O3 — CID 134614867

IUPACethyl 2-(2-methyl-6-propanoylphenyl)acetate
SMILESCCOC(=O)Cc1c(C)cccc1C(=O)CC
InChIInChI=1S/C14H18O3/c1-4-13(15)11-8-6-7-10(3)12(11)9-14(16)17-5-2/h6-8H,4-5,9H2,1-3H3
InChIKeyTUXDSAJDPZMOQS-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.69
Rot. Bonds5

About ethyl 2-(2-methyl-6-propanoylphenyl)acetate

ethyl 2-(2-methyl-6-propanoylphenyl)acetate (PubChem CID 134614867) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is ethyl 2-(2-methyl-6-propanoylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methyl-6-propanoylphenyl)acetate
PubChem CID134614867
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Nameethyl 2-(2-methyl-6-propanoylphenyl)acetate
SMILESCCOC(=O)Cc1c(C)cccc1C(=O)CC
InChIInChI=1S/C14H18O3/c1-4-13(15)11-8-6-7-10(3)12(11)9-14(16)17-5-2/h6-8H,4-5,9H2,1-3H3
InChIKeyTUXDSAJDPZMOQS-UHFFFAOYSA-N
XLogP2.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-bromo-6-methylphenyl)acetate
CID 134615175
ethyl 2-[2-(3-bromo-2-oxopropyl)-6-methylphenyl]acetate
CID 134631741
ethyl 2-(3-methyl-4-propanoylphenyl)acetate
CID 134633131
ethyl 2-(3-amino-2-chloro-6-methylphenyl)acetate
CID 171021815
ethyl 4-(2-methylphenyl)-4-oxobutanoate
CID 24727317
ethyl 2-[3-(chloromethyl)-2,6-dimethylphenyl]acetate
CID 171019746
ethyl 2-(2,3,5,6-tetramethylphenyl)acetate
CID 82552065
2-(2-ethoxy-2-oxoethyl)benzoic acid
CID 11367771
2-[2-(3-ethoxy-3-oxopropyl)-6-methylphenyl]acetic acid
CID 134614862
ethyl 2-[3-methyl-2-(trifluoromethyl)phenyl]acetate
CID 134633126
1-(2-acetyl-6-methylphenyl)propan-2-one
CID 58202287
2-methyl-6-propanoylbenzonitrile
CID 130951607

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methyl-6-propanoylphenyl)acetate?
The IUPAC name of ethyl 2-(2-methyl-6-propanoylphenyl)acetate (CID 134614867) is ethyl 2-(2-methyl-6-propanoylphenyl)acetate.
What is the SMILES notation for ethyl 2-(2-methyl-6-propanoylphenyl)acetate?
The canonical SMILES for ethyl 2-(2-methyl-6-propanoylphenyl)acetate is CCOC(=O)Cc1c(C)cccc1C(=O)CC.
What is the InChIKey of ethyl 2-(2-methyl-6-propanoylphenyl)acetate?
The InChIKey is TUXDSAJDPZMOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-4-13(15)11-8-6-7-10(3)12(11)9-14(16)17-5-2/h6-8H,4-5,9H2,1-3H3.
What are the key properties of ethyl 2-(2-methyl-6-propanoylphenyl)acetate?
ethyl 2-(2-methyl-6-propanoylphenyl)acetate has a molecular weight of 234.29 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methyl-6-propanoylphenyl)acetate is sourced from PubChem (CID 134614867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).