(2R)-2-[3-methyl-4-(2-methylbutan-2-yl)phenoxy]butanoic acid

C16H24O3 — CID 6938805

IUPAC(2R)-2-[3-methyl-4-(2-methylbutan-2-yl)phenoxy]butanoic acid
SMILESCC[C@@H](Oc1ccc(C(C)(C)CC)c(C)c1)C(=O)O
InChIInChI=1S/C16H24O3/c1-6-14(15(17)18)19-12-8-9-13(11(3)10-12)16(4,5)7-2/h8-10,14H,6-7H2,1-5H3,(H,17,18)/t14-/m1/s1
InChIKeyWOXMPVQWLXTUKL-CQSZACIVSA-N
MW264.37 g/mol
LogP3.92
Rot. Bonds6

About (2R)-2-[3-methyl-4-(2-methylbutan-2-yl)phenoxy]butanoic acid

(2R)-2-[3-methyl-4-(2-methylbutan-2-yl)phenoxy]butanoic acid (PubChem CID 6938805) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2R)-2-[3-methyl-4-(2-methylbutan-2-yl)phenoxy]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-methyl-4-(2-methylbutan-2-yl)phenoxy]butanoic acid
PubChem CID6938805
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name(2R)-2-[3-methyl-4-(2-methylbutan-2-yl)phenoxy]butanoic acid
SMILESCC[C@@H](Oc1ccc(C(C)(C)CC)c(C)c1)C(=O)O
InChIInChI=1S/C16H24O3/c1-6-14(15(17)18)19-12-8-9-13(11(3)10-12)16(4,5)7-2/h8-10,14H,6-7H2,1-5H3,(H,17,18)/t14-/m1/s1
InChIKeyWOXMPVQWLXTUKL-CQSZACIVSA-N
XLogP3.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methyl-4-propan-2-ylphenoxy)butanoic acid
CID 43808807
2-(4-bromo-3-methylphenoxy)butanoic acid
CID 54792675
(2S)-2-[3-fluoro-4-(trifluoromethyl)phenoxy]butanoic acid
CID 18643865
(2S)-2-(4-chloro-3,5-dimethylphenoxy)butanoic acid
CID 40579734
2-(4-chloro-3,5-dimethylphenoxy)butanoic acid
CID 13218780
(2R)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]butanoic acid;(2S)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]butanoic acid
CID 139204486
(2R)-2-(3,5-dimethylphenoxy)butanoic acid
CID 7016341
2-(3-methylphenoxy)butanoic acid
CID 4778922
2-(3,4-difluorophenoxy)butanoic acid
CID 43808864
(2S)-2-(4-bromophenoxy)butanoic acid
CID 7832525
2-methyl-1-(2-methylbutan-2-yl)-4-[2-[2-[3-methyl-4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]benzene
CID 123715376
3-[(1R)-1-carboxypropoxy]benzoic acid
CID 73424719

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-methyl-4-(2-methylbutan-2-yl)phenoxy]butanoic acid?
The IUPAC name of (2R)-2-[3-methyl-4-(2-methylbutan-2-yl)phenoxy]butanoic acid (CID 6938805) is (2R)-2-[3-methyl-4-(2-methylbutan-2-yl)phenoxy]butanoic acid.
What is the SMILES notation for (2R)-2-[3-methyl-4-(2-methylbutan-2-yl)phenoxy]butanoic acid?
The canonical SMILES for (2R)-2-[3-methyl-4-(2-methylbutan-2-yl)phenoxy]butanoic acid is CC[C@@H](Oc1ccc(C(C)(C)CC)c(C)c1)C(=O)O.
What is the InChIKey of (2R)-2-[3-methyl-4-(2-methylbutan-2-yl)phenoxy]butanoic acid?
The InChIKey is WOXMPVQWLXTUKL-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24O3/c1-6-14(15(17)18)19-12-8-9-13(11(3)10-12)16(4,5)7-2/h8-10,14H,6-7H2,1-5H3,(H,17,18)/t14-/m1/s1.
What are the key properties of (2R)-2-[3-methyl-4-(2-methylbutan-2-yl)phenoxy]butanoic acid?
(2R)-2-[3-methyl-4-(2-methylbutan-2-yl)phenoxy]butanoic acid has a molecular weight of 264.37 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-methyl-4-(2-methylbutan-2-yl)phenoxy]butanoic acid is sourced from PubChem (CID 6938805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).