(2R)-2-butoxy-3-(4-propan-2-ylphenyl)propanoic acid

C16H24O3 — CID 100531315

IUPAC(2R)-2-butoxy-3-(4-propan-2-ylphenyl)propanoic acid
SMILESCCCCO[C@H](Cc1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C16H24O3/c1-4-5-10-19-15(16(17)18)11-13-6-8-14(9-7-13)12(2)3/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,17,18)/t15-/m1/s1
InChIKeySOPWQYHJKJJGKJ-OAHLLOKOSA-N
MW264.37 g/mol
LogP3.62
Rot. Bonds8

About (2R)-2-butoxy-3-(4-propan-2-ylphenyl)propanoic acid

(2R)-2-butoxy-3-(4-propan-2-ylphenyl)propanoic acid (PubChem CID 100531315) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2R)-2-butoxy-3-(4-propan-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-butoxy-3-(4-propan-2-ylphenyl)propanoic acid
PubChem CID100531315
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name(2R)-2-butoxy-3-(4-propan-2-ylphenyl)propanoic acid
SMILESCCCCO[C@H](Cc1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C16H24O3/c1-4-5-10-19-15(16(17)18)11-13-6-8-14(9-7-13)12(2)3/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,17,18)/t15-/m1/s1
InChIKeySOPWQYHJKJJGKJ-OAHLLOKOSA-N
XLogP3.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromophenyl)-2-butoxypropanoic acid
CID 133245447
(2S)-2-butoxy-3-(3,4-dichlorophenyl)propanoic acid
CID 100540443
(2S)-3-[4-[2-[butyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethoxy]phenyl]-2-ethoxypropanoic acid
CID 11363054
(2R)-3-(4-hydroxyphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid
CID 54214369
(2R)-2-(4-propan-2-ylphenoxy)hexanoic acid
CID 124564856
2-butoxy-3-(2,6-dimethylphenyl)propanoic acid
CID 133245185
3-[4-[2-[2-butoxyethyl-[(4-propan-2-ylphenyl)carbamoyl]amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22230548
(2R)-2-(3,4-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid
CID 100531124
3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid
CID 18443572
3-(4-chlorophenyl)-2-ethoxypropanoic acid
CID 84726078
(2S)-2-(3,5-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid
CID 100530945
3-[4-(2-butoxypropanoylamino)phenyl]-2-methylpropanoic acid
CID 120541015

Frequently Asked Questions

What is the IUPAC name of (2R)-2-butoxy-3-(4-propan-2-ylphenyl)propanoic acid?
The IUPAC name of (2R)-2-butoxy-3-(4-propan-2-ylphenyl)propanoic acid (CID 100531315) is (2R)-2-butoxy-3-(4-propan-2-ylphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-butoxy-3-(4-propan-2-ylphenyl)propanoic acid?
The canonical SMILES for (2R)-2-butoxy-3-(4-propan-2-ylphenyl)propanoic acid is CCCCO[C@H](Cc1ccc(C(C)C)cc1)C(=O)O.
What is the InChIKey of (2R)-2-butoxy-3-(4-propan-2-ylphenyl)propanoic acid?
The InChIKey is SOPWQYHJKJJGKJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24O3/c1-4-5-10-19-15(16(17)18)11-13-6-8-14(9-7-13)12(2)3/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,17,18)/t15-/m1/s1.
What are the key properties of (2R)-2-butoxy-3-(4-propan-2-ylphenyl)propanoic acid?
(2R)-2-butoxy-3-(4-propan-2-ylphenyl)propanoic acid has a molecular weight of 264.37 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-butoxy-3-(4-propan-2-ylphenyl)propanoic acid is sourced from PubChem (CID 100531315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).