propan-2-yl 5-ethyl-2-methoxybenzoate

C13H18O3 — CID 82551716

IUPACpropan-2-yl 5-ethyl-2-methoxybenzoate
SMILESCCc1ccc(OC)c(C(=O)OC(C)C)c1
InChIInChI=1S/C13H18O3/c1-5-10-6-7-12(15-4)11(8-10)13(14)16-9(2)3/h6-9H,5H2,1-4H3
InChIKeyFWFLBDNAGOXWTM-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.82
Rot. Bonds4

About propan-2-yl 5-ethyl-2-methoxybenzoate

propan-2-yl 5-ethyl-2-methoxybenzoate (PubChem CID 82551716) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is propan-2-yl 5-ethyl-2-methoxybenzoate.

Molecular Properties

Compound Namepropan-2-yl 5-ethyl-2-methoxybenzoate
PubChem CID82551716
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Namepropan-2-yl 5-ethyl-2-methoxybenzoate
SMILESCCc1ccc(OC)c(C(=O)OC(C)C)c1
InChIInChI=1S/C13H18O3/c1-5-10-6-7-12(15-4)11(8-10)13(14)16-9(2)3/h6-9H,5H2,1-4H3
InChIKeyFWFLBDNAGOXWTM-UHFFFAOYSA-N
XLogP2.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-methoxybenzoic acid
CID 20721149
5-ethyl-2-methoxy-N-propan-2-ylbenzamide
CID 110761959
2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one
CID 82267769
propan-2-yl 2-methoxy-5-nitrobenzoate
CID 112722997
1-(5-ethyl-2-methoxyphenyl)-2-(methylamino)butan-1-one
CID 112512244
propan-2-yl 5-(5-ethyl-2-hydroxybenzoyl)-2-hydroxybenzoate
CID 139223343
2-ethyl-4-(5-ethyl-2-methoxyphenyl)-4-oxobutanoic acid
CID 70453795
ethyl 5-(hydroxymethyl)-2-methoxybenzoate
CID 131750236
3-amino-1-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 116915679
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate
CID 7810802
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 7235578
propan-2-yl 2-ethyl-4-methylbenzoate
CID 143066074

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-ethyl-2-methoxybenzoate?
The IUPAC name of propan-2-yl 5-ethyl-2-methoxybenzoate (CID 82551716) is propan-2-yl 5-ethyl-2-methoxybenzoate.
What is the SMILES notation for propan-2-yl 5-ethyl-2-methoxybenzoate?
The canonical SMILES for propan-2-yl 5-ethyl-2-methoxybenzoate is CCc1ccc(OC)c(C(=O)OC(C)C)c1.
What is the InChIKey of propan-2-yl 5-ethyl-2-methoxybenzoate?
The InChIKey is FWFLBDNAGOXWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-5-10-6-7-12(15-4)11(8-10)13(14)16-9(2)3/h6-9H,5H2,1-4H3.
What are the key properties of propan-2-yl 5-ethyl-2-methoxybenzoate?
propan-2-yl 5-ethyl-2-methoxybenzoate has a molecular weight of 222.28 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-ethyl-2-methoxybenzoate is sourced from PubChem (CID 82551716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).