2-(4-propan-2-ylphenoxy)pentanoic acid

C14H20O3 — CID 54792638

IUPAC2-(4-propan-2-ylphenoxy)pentanoic acid
SMILESCCCC(Oc1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C14H20O3/c1-4-5-13(14(15)16)17-12-8-6-11(7-9-12)10(2)3/h6-10,13H,4-5H2,1-3H3,(H,15,16)
InChIKeySGNMTEUKLUXTKB-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.44
Rot. Bonds6

About 2-(4-propan-2-ylphenoxy)pentanoic acid

2-(4-propan-2-ylphenoxy)pentanoic acid (PubChem CID 54792638) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenoxy)pentanoic acid.

Molecular Properties

Compound Name2-(4-propan-2-ylphenoxy)pentanoic acid
PubChem CID54792638
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-(4-propan-2-ylphenoxy)pentanoic acid
SMILESCCCC(Oc1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C14H20O3/c1-4-5-13(14(15)16)17-12-8-6-11(7-9-12)10(2)3/h6-10,13H,4-5H2,1-3H3,(H,15,16)
InChIKeySGNMTEUKLUXTKB-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-propan-2-ylphenoxy)hexanoic acid
CID 124564856
2-[4-(hydroxymethyl)phenoxy]pentanoic acid
CID 83037900
3-methoxy-2-(4-propan-2-ylphenoxy)propanoic acid
CID 103223931
2-[4-(1-hydroxyethyl)phenoxy]butanoic acid
CID 64661160
2-[3-[(1R)-1-hydroxyethyl]phenoxy]pentanoic acid
CID 83042004
(2R)-3-(4-hydroxyphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid
CID 54214369
2-(4-propan-2-ylphenoxy)propanoic acid
CID 3252680
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]pentanoic acid
CID 12906025
2-(3-fluoro-4-methylphenoxy)pentanoic acid
CID 107168408
(2R)-2-phenoxyhexanoic acid
CID 71401043
sodium 2-phenoxypentanoate
CID 59946136
2-[4-[1-[(5-chloro-2-methoxybenzoyl)amino]propan-2-yl]phenoxy]pentanoic acid
CID 69406161

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenoxy)pentanoic acid?
The IUPAC name of 2-(4-propan-2-ylphenoxy)pentanoic acid (CID 54792638) is 2-(4-propan-2-ylphenoxy)pentanoic acid.
What is the SMILES notation for 2-(4-propan-2-ylphenoxy)pentanoic acid?
The canonical SMILES for 2-(4-propan-2-ylphenoxy)pentanoic acid is CCCC(Oc1ccc(C(C)C)cc1)C(=O)O.
What is the InChIKey of 2-(4-propan-2-ylphenoxy)pentanoic acid?
The InChIKey is SGNMTEUKLUXTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-5-13(14(15)16)17-12-8-6-11(7-9-12)10(2)3/h6-10,13H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-(4-propan-2-ylphenoxy)pentanoic acid?
2-(4-propan-2-ylphenoxy)pentanoic acid has a molecular weight of 236.31 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenoxy)pentanoic acid is sourced from PubChem (CID 54792638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).