2-(3-methyl-4-propan-2-ylphenoxy)butanoic acid

C14H20O3 — CID 43808807

IUPAC2-(3-methyl-4-propan-2-ylphenoxy)butanoic acid
SMILESCCC(Oc1ccc(C(C)C)c(C)c1)C(=O)O
InChIInChI=1S/C14H20O3/c1-5-13(14(15)16)17-11-6-7-12(9(2)3)10(4)8-11/h6-9,13H,5H2,1-4H3,(H,15,16)
InChIKeyMDAPYJKYYGIDDZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.36
Rot. Bonds5

About 2-(3-methyl-4-propan-2-ylphenoxy)butanoic acid

2-(3-methyl-4-propan-2-ylphenoxy)butanoic acid (PubChem CID 43808807) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylphenoxy)butanoic acid.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylphenoxy)butanoic acid
PubChem CID43808807
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-(3-methyl-4-propan-2-ylphenoxy)butanoic acid
SMILESCCC(Oc1ccc(C(C)C)c(C)c1)C(=O)O
InChIInChI=1S/C14H20O3/c1-5-13(14(15)16)17-11-6-7-12(9(2)3)10(4)8-11/h6-9,13H,5H2,1-4H3,(H,15,16)
InChIKeyMDAPYJKYYGIDDZ-UHFFFAOYSA-N
XLogP3.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-methylphenoxy)butanoic acid
CID 54792675
(2S)-2-(4-chloro-3,5-dimethylphenoxy)butanoic acid
CID 40579734
2-(4-chloro-3,5-dimethylphenoxy)butanoic acid
CID 13218780
2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 43537580
(2R)-2-[3-methyl-4-(2-methylbutan-2-yl)phenoxy]butanoic acid
CID 6938805
(2R)-2-(3,5-dimethylphenoxy)butanoic acid
CID 7016341
(2S,3S)-3-methyl-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethylamino]pentanoic acid
CID 122099927
2-[4-(1-hydroxyethyl)phenoxy]butanoic acid
CID 64661160
2-(3,4-difluorophenoxy)butanoic acid
CID 43808864
2-(3-methylphenoxy)butanoic acid
CID 4778922
3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 16773331
(2S)-2-(4-bromophenoxy)butanoic acid
CID 7832525

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)butanoic acid?
The IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)butanoic acid (CID 43808807) is 2-(3-methyl-4-propan-2-ylphenoxy)butanoic acid.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylphenoxy)butanoic acid?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylphenoxy)butanoic acid is CCC(Oc1ccc(C(C)C)c(C)c1)C(=O)O.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylphenoxy)butanoic acid?
The InChIKey is MDAPYJKYYGIDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-13(14(15)16)17-11-6-7-12(9(2)3)10(4)8-11/h6-9,13H,5H2,1-4H3,(H,15,16).
What are the key properties of 2-(3-methyl-4-propan-2-ylphenoxy)butanoic acid?
2-(3-methyl-4-propan-2-ylphenoxy)butanoic acid has a molecular weight of 236.31 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-ylphenoxy)butanoic acid is sourced from PubChem (CID 43808807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).