(3R)-3-(4-butan-2-ylphenoxy)butanoic acid

C14H20O3 — CID 107663488

IUPAC(3R)-3-(4-butan-2-ylphenoxy)butanoic acid
SMILESCCC(C)c1ccc(O[C@H](C)CC(=O)O)cc1
InChIInChI=1S/C14H20O3/c1-4-10(2)12-5-7-13(8-6-12)17-11(3)9-14(15)16/h5-8,10-11H,4,9H2,1-3H3,(H,15,16)/t10?,11-/m1/s1
InChIKeyGRXWMVQVYHWBGK-RRKGBCIJSA-N
MW236.31 g/mol
LogP3.44
Rot. Bonds6

About (3R)-3-(4-butan-2-ylphenoxy)butanoic acid

(3R)-3-(4-butan-2-ylphenoxy)butanoic acid (PubChem CID 107663488) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (3R)-3-(4-butan-2-ylphenoxy)butanoic acid.

Molecular Properties

Compound Name(3R)-3-(4-butan-2-ylphenoxy)butanoic acid
PubChem CID107663488
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(3R)-3-(4-butan-2-ylphenoxy)butanoic acid
SMILESCCC(C)c1ccc(O[C@H](C)CC(=O)O)cc1
InChIInChI=1S/C14H20O3/c1-4-10(2)12-5-7-13(8-6-12)17-11(3)9-14(15)16/h5-8,10-11H,4,9H2,1-3H3,(H,15,16)/t10?,11-/m1/s1
InChIKeyGRXWMVQVYHWBGK-RRKGBCIJSA-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

3-(4-ethylphenoxy)butanoic acid
CID 43535961
2-(4-butan-2-ylphenoxy)propan-1-ol
CID 54018787
(3S)-3-[4-(hydroxymethyl)phenoxy]butanoic acid
CID 103547969
(3S)-3-[4-(4-methylphenoxy)phenoxy]butanoic acid
CID 103547877
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
2-[3-(4-butan-2-ylphenoxy)butoxy]ethyl acetate
CID 122599570
(3S)-3-(4-chloro-3-ethylphenoxy)butanoic acid
CID 103547866
(4-butan-2-ylphenyl) 2-methylpropanoate
CID 155645541
1-butan-2-yl-4-(1-phenylethoxy)benzene
CID 58079027
4-(4-butan-2-ylphenyl)-3-(ethylamino)-4-oxobutanoic acid
CID 82322816
1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene
CID 159159765
1-(4-butan-2-ylphenoxy)propan-2-one
CID 59101826

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-butan-2-ylphenoxy)butanoic acid?
The IUPAC name of (3R)-3-(4-butan-2-ylphenoxy)butanoic acid (CID 107663488) is (3R)-3-(4-butan-2-ylphenoxy)butanoic acid.
What is the SMILES notation for (3R)-3-(4-butan-2-ylphenoxy)butanoic acid?
The canonical SMILES for (3R)-3-(4-butan-2-ylphenoxy)butanoic acid is CCC(C)c1ccc(O[C@H](C)CC(=O)O)cc1.
What is the InChIKey of (3R)-3-(4-butan-2-ylphenoxy)butanoic acid?
The InChIKey is GRXWMVQVYHWBGK-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-10(2)12-5-7-13(8-6-12)17-11(3)9-14(15)16/h5-8,10-11H,4,9H2,1-3H3,(H,15,16)/t10?,11-/m1/s1.
What are the key properties of (3R)-3-(4-butan-2-ylphenoxy)butanoic acid?
(3R)-3-(4-butan-2-ylphenoxy)butanoic 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 (3R)-3-(4-butan-2-ylphenoxy)butanoic acid is sourced from PubChem (CID 107663488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).