2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid

C14H20O3 — CID 79015562

IUPAC2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid
SMILESCCC(CC)(Cc1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C14H20O3/c1-4-14(5-2,13(15)16)10-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3,(H,15,16)
InChIKeyJJUHLQVOPFKFHF-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.13
Rot. Bonds6

About 2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid

2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid (PubChem CID 79015562) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid
PubChem CID79015562
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid
SMILESCCC(CC)(Cc1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C14H20O3/c1-4-14(5-2,13(15)16)10-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3,(H,15,16)
InChIKeyJJUHLQVOPFKFHF-UHFFFAOYSA-N
XLogP3.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-hydroxy-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 67330624
2-ethyl-2-[(4-methoxyphenyl)methyl]-3-oxobutanoic acid
CID 70261554
2-[(4-methoxyphenyl)methyl]-2-[(4-methylphenyl)methyl]propanedioic acid
CID 58403888
2-ethyl-2-[(4-iodophenyl)methyl]butanoic acid
CID 65479075
2-[(4-tert-butylphenyl)methyl]-2-ethylbutanoic acid
CID 63402911
2,2-difluoro-3-hydroxy-4-(4-methoxyphenyl)-3-methylbutanoic acid
CID 55167754
2-[(4-methoxyphenyl)methyl]-2-methylbut-3-enoic acid
CID 102639505
2-cyano-3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 82127435
3-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 131843624
(4-methoxyphenyl)methyl 2-(aminomethyl)-2-ethylbutanoate
CID 115430699
3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 67840542
(2R)-2-ethyl-2-hydroxy-5-(4-methoxyphenyl)pentanoic acid
CID 66960054

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid (CID 79015562) is 2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid is CCC(CC)(Cc1ccc(OC)cc1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid?
The InChIKey is JJUHLQVOPFKFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-14(5-2,13(15)16)10-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3,(H,15,16).
What are the key properties of 2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid?
2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid has a molecular weight of 236.31 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid is sourced from PubChem (CID 79015562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).