3-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)-3-methylbutanoic acid

C16H24O3 — CID 117415665

IUPAC3-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)-3-methylbutanoic acid
SMILESCCc1ccc(C(C)C)c(C(C)(C)CC(=O)O)c1O
InChIInChI=1S/C16H24O3/c1-6-11-7-8-12(10(2)3)14(15(11)19)16(4,5)9-13(17)18/h7-8,10,19H,6,9H2,1-5H3,(H,17,18)
InChIKeyZHVGEXIDOCKCBU-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.83
Rot. Bonds5

About 3-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)-3-methylbutanoic acid

3-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)-3-methylbutanoic acid (PubChem CID 117415665) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 3-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)-3-methylbutanoic acid
PubChem CID117415665
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name3-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)-3-methylbutanoic acid
SMILESCCc1ccc(C(C)C)c(C(C)(C)CC(=O)O)c1O
InChIInChI=1S/C16H24O3/c1-6-11-7-8-12(10(2)3)14(15(11)19)16(4,5)9-13(17)18/h7-8,10,19H,6,9H2,1-5H3,(H,17,18)
InChIKeyZHVGEXIDOCKCBU-UHFFFAOYSA-N
XLogP3.83
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-hydroxy-3-methoxy-6-propan-2-ylphenyl)-3-methylbutanoic acid
CID 117419964
3-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)-3-methylbutanoic acid
CID 117379506
2-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)propanoic acid
CID 117345076
2-(2-amino-2-methylpropyl)-6-ethyl-3-propan-2-ylphenol
CID 117343674
3-(2-hydroxy-3,6-dimethylphenyl)-3-methylbutanoic acid
CID 59163131
3-methyl-3-(3-propan-2-ylphenyl)butanoic acid
CID 117314732
2-(3-aminopropyl)-6-ethyl-3-propan-2-ylphenol
CID 117316995
2-(4-aminobutan-2-yl)-6-ethyl-3-propan-2-ylphenol
CID 117343732
3-[2-(2-hydroxypropyl)phenyl]-3-methylbutanoic acid
CID 115112921
2-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)acetic acid
CID 84676017
3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid
CID 79019407
3-(7-ethyl-2-methyl-1H-indol-3-yl)-3-methylbutanoic acid
CID 84637841

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)-3-methylbutanoic acid?
The IUPAC name of 3-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)-3-methylbutanoic acid (CID 117415665) is 3-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)-3-methylbutanoic acid.
What is the SMILES notation for 3-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)-3-methylbutanoic acid?
The canonical SMILES for 3-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)-3-methylbutanoic acid is CCc1ccc(C(C)C)c(C(C)(C)CC(=O)O)c1O.
What is the InChIKey of 3-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)-3-methylbutanoic acid?
The InChIKey is ZHVGEXIDOCKCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-6-11-7-8-12(10(2)3)14(15(11)19)16(4,5)9-13(17)18/h7-8,10,19H,6,9H2,1-5H3,(H,17,18).
What are the key properties of 3-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)-3-methylbutanoic acid?
3-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)-3-methylbutanoic acid has a molecular weight of 264.36 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)-3-methylbutanoic acid is sourced from PubChem (CID 117415665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).