ethyl 2-methoxy-4-propan-2-ylbenzoate

C13H18O3 — CID 116964804

IUPACethyl 2-methoxy-4-propan-2-ylbenzoate
SMILESCCOC(=O)c1ccc(C(C)C)cc1OC
InChIInChI=1S/C13H18O3/c1-5-16-13(14)11-7-6-10(9(2)3)8-12(11)15-4/h6-9H,5H2,1-4H3
InChIKeyAZXBGMOFHGGYFY-UHFFFAOYSA-N
MW222.28 g/mol
LogP3.00
Rot. Bonds4

About ethyl 2-methoxy-4-propan-2-ylbenzoate

ethyl 2-methoxy-4-propan-2-ylbenzoate (PubChem CID 116964804) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is ethyl 2-methoxy-4-propan-2-ylbenzoate.

Molecular Properties

Compound Nameethyl 2-methoxy-4-propan-2-ylbenzoate
PubChem CID116964804
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Nameethyl 2-methoxy-4-propan-2-ylbenzoate
SMILESCCOC(=O)c1ccc(C(C)C)cc1OC
InChIInChI=1S/C13H18O3/c1-5-16-13(14)11-7-6-10(9(2)3)8-12(11)15-4/h6-9H,5H2,1-4H3
InChIKeyAZXBGMOFHGGYFY-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-butan-2-yl-2-methoxybenzoate
CID 123894176
ethyl 2-methoxy-4-(2-methylpropyl)benzoate
CID 141306392
ethyl 3-ethyl-4-methoxy-7-propan-2-ylazulene-1-carboxylate
CID 10040465
ethyl 4-ethylsulfanyl-2-methoxybenzoate
CID 91876131
2-amino-1-(2-methoxy-4-propan-2-ylphenyl)-2-methylpropan-1-one
CID 116915369
2-amino-3-(2-methoxy-4-propan-2-ylphenyl)-3-oxopropanoic acid
CID 116920512
2-methoxy-N-(2-methylpropyl)-4-propan-2-ylbenzamide
CID 110762907
1-(2-methoxy-4-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanone
CID 98784318
ethyl N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamate
CID 110782911
ethyl 3,4-dimethoxy-2-methylbenzoate
CID 23043983
2-methylpropyl 2-methoxy-4-methylbenzoate
CID 141306404
N-(3-amino-2-methylpropyl)-2-methoxy-4-propan-2-ylbenzamide
CID 115271618

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-4-propan-2-ylbenzoate?
The IUPAC name of ethyl 2-methoxy-4-propan-2-ylbenzoate (CID 116964804) is ethyl 2-methoxy-4-propan-2-ylbenzoate.
What is the SMILES notation for ethyl 2-methoxy-4-propan-2-ylbenzoate?
The canonical SMILES for ethyl 2-methoxy-4-propan-2-ylbenzoate is CCOC(=O)c1ccc(C(C)C)cc1OC.
What is the InChIKey of ethyl 2-methoxy-4-propan-2-ylbenzoate?
The InChIKey is AZXBGMOFHGGYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-5-16-13(14)11-7-6-10(9(2)3)8-12(11)15-4/h6-9H,5H2,1-4H3.
What are the key properties of ethyl 2-methoxy-4-propan-2-ylbenzoate?
ethyl 2-methoxy-4-propan-2-ylbenzoate has a molecular weight of 222.28 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-4-propan-2-ylbenzoate is sourced from PubChem (CID 116964804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).