2-ethyl-2-(2-phenylethoxy)butanoic acid

C14H20O3 — CID 114992375

IUPAC2-ethyl-2-(2-phenylethoxy)butanoic acid
SMILESCCC(CC)(OCCc1ccccc1)C(=O)O
InChIInChI=1S/C14H20O3/c1-3-14(4-2,13(15)16)17-11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,15,16)
InChIKeyOMRQRUWFSQPKMJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.89
Rot. Bonds7

About 2-ethyl-2-(2-phenylethoxy)butanoic acid

2-ethyl-2-(2-phenylethoxy)butanoic acid (PubChem CID 114992375) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-ethyl-2-(2-phenylethoxy)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(2-phenylethoxy)butanoic acid
PubChem CID114992375
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-ethyl-2-(2-phenylethoxy)butanoic acid
SMILESCCC(CC)(OCCc1ccccc1)C(=O)O
InChIInChI=1S/C14H20O3/c1-3-14(4-2,13(15)16)17-11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,15,16)
InChIKeyOMRQRUWFSQPKMJ-UHFFFAOYSA-N
XLogP2.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 173371291
CID 173371291
2-phenylethyl acetate
CID 7654
2-methyl-3-oxo-2-(2-phenylethyl)butanoic acid
CID 174626222
4,4-bis(2-phenylethoxy)pentanoyloxymethyl 4,4-bis(2-phenylethoxy)pentanoate
CID 163583423
acetic acid;2-phenylethyl acetate
CID 174791962
5-ethyl-5-methoxy-1-phenylheptan-4-one
CID 116747402
2-ethyl-2-(thiophen-2-ylmethoxy)butanoic acid
CID 114995683
2-amino-2-methyl-3-(2-phenylethoxy)propanoic acid
CID 114987450
2-methyl-2-phenylmethoxybutanoic acid
CID 14683642
(2R)-2-ethyl-2-hydroxy-5-phenylpentanoic acid
CID 70212067
1-O-nonyl 3-O-(2-phenylethyl) 2,2-diethylpropanedioate
CID 91703205
1-O-(2-methylpropyl) 3-O-(2-phenylethyl) 2,2-diethylpropanedioate
CID 91703244

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-phenylethoxy)butanoic acid?
The IUPAC name of 2-ethyl-2-(2-phenylethoxy)butanoic acid (CID 114992375) is 2-ethyl-2-(2-phenylethoxy)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(2-phenylethoxy)butanoic acid?
The canonical SMILES for 2-ethyl-2-(2-phenylethoxy)butanoic acid is CCC(CC)(OCCc1ccccc1)C(=O)O.
What is the InChIKey of 2-ethyl-2-(2-phenylethoxy)butanoic acid?
The InChIKey is OMRQRUWFSQPKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-3-14(4-2,13(15)16)17-11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-2-(2-phenylethoxy)butanoic acid?
2-ethyl-2-(2-phenylethoxy)butanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-phenylethoxy)butanoic acid is sourced from PubChem (CID 114992375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).