ethyl 2-methoxy-4-(2-methylpropyl)benzoate

C14H20O3 — CID 141306392

IUPACethyl 2-methoxy-4-(2-methylpropyl)benzoate
SMILESCCOC(=O)c1ccc(CC(C)C)cc1OC
InChIInChI=1S/C14H20O3/c1-5-17-14(15)12-7-6-11(8-10(2)3)9-13(12)16-4/h6-7,9-10H,5,8H2,1-4H3
InChIKeyVPYXPFHXULAFJV-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.07
Rot. Bonds5

About ethyl 2-methoxy-4-(2-methylpropyl)benzoate

ethyl 2-methoxy-4-(2-methylpropyl)benzoate (PubChem CID 141306392) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl 2-methoxy-4-(2-methylpropyl)benzoate.

Molecular Properties

Compound Nameethyl 2-methoxy-4-(2-methylpropyl)benzoate
PubChem CID141306392
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Nameethyl 2-methoxy-4-(2-methylpropyl)benzoate
SMILESCCOC(=O)c1ccc(CC(C)C)cc1OC
InChIInChI=1S/C14H20O3/c1-5-17-14(15)12-7-6-11(8-10(2)3)9-13(12)16-4/h6-7,9-10H,5,8H2,1-4H3
InChIKeyVPYXPFHXULAFJV-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-methoxy-4-propan-2-ylbenzoate
CID 116964804
ethyl 4-(2-hydroxypropyl)-2-(2-methylpropyl)benzoate
CID 91468051
2-methylpropyl 2-methoxy-4-methylbenzoate
CID 141306404
propyl 2-methoxy-4-propylbenzoate
CID 175548133
ethyl 4-ethylsulfanyl-2-methoxybenzoate
CID 91876131
ethyl 5-(hydroxymethyl)-2-methoxybenzoate
CID 131750236
2-[4-(4-ethoxycarbonyl-3-methoxyphenyl)sulfanylphenyl]acetic acid
CID 91879262
diethyl 4-(methoxymethyl)benzene-1,2-dicarboxylate
CID 141473681
ethyl 3,4-dimethoxy-2-methylbenzoate
CID 23043983
ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718
4-ethyl-2-methoxybenzoic acid
CID 18687349
2-methoxy-1,4-bis(2-methylpropyl)benzene
CID 91036364

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-4-(2-methylpropyl)benzoate?
The IUPAC name of ethyl 2-methoxy-4-(2-methylpropyl)benzoate (CID 141306392) is ethyl 2-methoxy-4-(2-methylpropyl)benzoate.
What is the SMILES notation for ethyl 2-methoxy-4-(2-methylpropyl)benzoate?
The canonical SMILES for ethyl 2-methoxy-4-(2-methylpropyl)benzoate is CCOC(=O)c1ccc(CC(C)C)cc1OC.
What is the InChIKey of ethyl 2-methoxy-4-(2-methylpropyl)benzoate?
The InChIKey is VPYXPFHXULAFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-17-14(15)12-7-6-11(8-10(2)3)9-13(12)16-4/h6-7,9-10H,5,8H2,1-4H3.
What are the key properties of ethyl 2-methoxy-4-(2-methylpropyl)benzoate?
ethyl 2-methoxy-4-(2-methylpropyl)benzoate has a molecular weight of 236.31 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-4-(2-methylpropyl)benzoate is sourced from PubChem (CID 141306392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).