(4-ethoxyphenyl)methyl 2-methylbutanoate

C14H20O3 — CID 146892900

IUPAC(4-ethoxyphenyl)methyl 2-methylbutanoate
SMILESCCOc1ccc(COC(=O)C(C)CC)cc1
InChIInChI=1S/C14H20O3/c1-4-11(3)14(15)17-10-12-6-8-13(9-7-12)16-5-2/h6-9,11H,4-5,10H2,1-3H3
InChIKeyTUNDUQFIPBQSFB-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.17
Rot. Bonds6

About (4-ethoxyphenyl)methyl 2-methylbutanoate

(4-ethoxyphenyl)methyl 2-methylbutanoate (PubChem CID 146892900) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (4-ethoxyphenyl)methyl 2-methylbutanoate.

Molecular Properties

Compound Name(4-ethoxyphenyl)methyl 2-methylbutanoate
PubChem CID146892900
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(4-ethoxyphenyl)methyl 2-methylbutanoate
SMILESCCOc1ccc(COC(=O)C(C)CC)cc1
InChIInChI=1S/C14H20O3/c1-4-11(3)14(15)17-10-12-6-8-13(9-7-12)16-5-2/h6-9,11H,4-5,10H2,1-3H3
InChIKeyTUNDUQFIPBQSFB-UHFFFAOYSA-N
XLogP3.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-ethoxyphenyl)methyl 2-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(propan-2-yloxymethyl)phenyl]methyl 2-methylbutanoate
CID 70639906
4-(2-methylbutanoyloxymethyl)benzoic acid
CID 59266761
benzyl 2-amino-3-(4-ethoxyphenyl)propanoate
CID 19804808
(4-ethoxyphenyl)methyl benzoate
CID 91595481
2-[6-(2-methylbutanoyloxymethyl)naphthalen-2-yl]acetic acid
CID 163469482
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148
[4-(cyclopropylmethoxy)phenyl]methyl 2-(2-methylbutanoylamino)butanoate
CID 91251724
ethyl 3-(4-ethylphenoxy)-2-methylpropanoate
CID 115002229
1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene
CID 123874930
(2S)-3-(4-ethoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 10736143
methyl 2-(4-ethoxyphenyl)propanoate
CID 62394502
6-(4-hexylphenoxy)hexyl 2-methylbutanoate
CID 59705797

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)methyl 2-methylbutanoate?
The IUPAC name of (4-ethoxyphenyl)methyl 2-methylbutanoate (CID 146892900) is (4-ethoxyphenyl)methyl 2-methylbutanoate.
What is the SMILES notation for (4-ethoxyphenyl)methyl 2-methylbutanoate?
The canonical SMILES for (4-ethoxyphenyl)methyl 2-methylbutanoate is CCOc1ccc(COC(=O)C(C)CC)cc1.
What is the InChIKey of (4-ethoxyphenyl)methyl 2-methylbutanoate?
The InChIKey is TUNDUQFIPBQSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-11(3)14(15)17-10-12-6-8-13(9-7-12)16-5-2/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of (4-ethoxyphenyl)methyl 2-methylbutanoate?
(4-ethoxyphenyl)methyl 2-methylbutanoate has a molecular weight of 236.31 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)methyl 2-methylbutanoate is sourced from PubChem (CID 146892900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).