4-(2-ethyl-4-propan-2-yloxyphenyl)-4-oxobutanoic acid

C15H20O4 — CID 82267401

IUPAC4-(2-ethyl-4-propan-2-yloxyphenyl)-4-oxobutanoic acid
SMILESCCc1cc(OC(C)C)ccc1C(=O)CCC(=O)O
InChIInChI=1S/C15H20O4/c1-4-11-9-12(19-10(2)3)5-6-13(11)14(16)7-8-15(17)18/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,18)
InChIKeyGTPHTCFGZNHSGH-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.08
Rot. Bonds7

About 4-(2-ethyl-4-propan-2-yloxyphenyl)-4-oxobutanoic acid

4-(2-ethyl-4-propan-2-yloxyphenyl)-4-oxobutanoic acid (PubChem CID 82267401) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-(2-ethyl-4-propan-2-yloxyphenyl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(2-ethyl-4-propan-2-yloxyphenyl)-4-oxobutanoic acid
PubChem CID82267401
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name4-(2-ethyl-4-propan-2-yloxyphenyl)-4-oxobutanoic acid
SMILESCCc1cc(OC(C)C)ccc1C(=O)CCC(=O)O
InChIInChI=1S/C15H20O4/c1-4-11-9-12(19-10(2)3)5-6-13(11)14(16)7-8-15(17)18/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,18)
InChIKeyGTPHTCFGZNHSGH-UHFFFAOYSA-N
XLogP3.08
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-ethyl-4-propan-2-yloxyphenyl)-4-oxobutanoic acid 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

5-(2-ethyl-4-propan-2-yloxyphenyl)-5-oxopentanoic acid
CID 82267403
propan-2-yl 2-ethyl-4-propan-2-yloxybenzoate
CID 82552007
3-(2-methoxy-5-propan-2-yloxyphenyl)propanoic acid
CID 82265548
(2-ethyl-4-propan-2-yloxyphenyl)-piperazin-1-ylmethanone
CID 82267421
(3-aminophenyl)-(2-ethyl-4-propan-2-yloxyphenyl)methanone
CID 82267425
2-(2-methyl-4-propan-2-yloxyphenyl)acetic acid
CID 82264574
1,5-bis(2-hydroxy-5-propan-2-yloxyphenyl)pentan-3-one
CID 154180149
methyl 2-(2-ethyl-4-propan-2-yloxyphenyl)acetate
CID 82552006
1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine
CID 82267415
4-(2-fluoro-4-methoxyphenyl)-4-oxobutanoic acid
CID 43561181
1-[2,5-di(propan-2-yloxy)phenyl]propan-1-one
CID 82267817
methyl 4-(2-methoxy-5-propan-2-yloxyphenyl)-4-oxobutanoate
CID 82553026

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-4-propan-2-yloxyphenyl)-4-oxobutanoic acid?
The IUPAC name of 4-(2-ethyl-4-propan-2-yloxyphenyl)-4-oxobutanoic acid (CID 82267401) is 4-(2-ethyl-4-propan-2-yloxyphenyl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(2-ethyl-4-propan-2-yloxyphenyl)-4-oxobutanoic acid?
The canonical SMILES for 4-(2-ethyl-4-propan-2-yloxyphenyl)-4-oxobutanoic acid is CCc1cc(OC(C)C)ccc1C(=O)CCC(=O)O.
What is the InChIKey of 4-(2-ethyl-4-propan-2-yloxyphenyl)-4-oxobutanoic acid?
The InChIKey is GTPHTCFGZNHSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-4-11-9-12(19-10(2)3)5-6-13(11)14(16)7-8-15(17)18/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,18).
What are the key properties of 4-(2-ethyl-4-propan-2-yloxyphenyl)-4-oxobutanoic acid?
4-(2-ethyl-4-propan-2-yloxyphenyl)-4-oxobutanoic acid has a molecular weight of 264.32 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-4-propan-2-yloxyphenyl)-4-oxobutanoic acid is sourced from PubChem (CID 82267401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).