2-[4-(2-methylpropyl)phenyl]-2-propoxyacetic acid

C15H22O3 — CID 83224518

IUPAC2-[4-(2-methylpropyl)phenyl]-2-propoxyacetic acid
SMILESCCCOC(C(=O)O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H22O3/c1-4-9-18-14(15(16)17)13-7-5-12(6-8-13)10-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyNXKFENLNXZQENK-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.44
Rot. Bonds7

About 2-[4-(2-methylpropyl)phenyl]-2-propoxyacetic acid

2-[4-(2-methylpropyl)phenyl]-2-propoxyacetic acid (PubChem CID 83224518) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]-2-propoxyacetic acid.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)phenyl]-2-propoxyacetic acid
PubChem CID83224518
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-[4-(2-methylpropyl)phenyl]-2-propoxyacetic acid
SMILESCCCOC(C(=O)O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H22O3/c1-4-9-18-14(15(16)17)13-7-5-12(6-8-13)10-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyNXKFENLNXZQENK-UHFFFAOYSA-N
XLogP3.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-methylpropyl)phenyl]-1-propoxypropan-2-one
CID 83226310
2-(4-methoxyphenyl)-2-propoxyacetic acid
CID 83223962
1-methoxy-1-[4-(2-methylpropyl)phenyl]pentan-2-one
CID 83225132
2-(4-ethylphenyl)-2-(3-hydroxypropoxy)acetic acid
CID 83223895
CID 175760114
CID 175760114
Ibuprofen (sodium)
CID 45052535
(2R)-2-hydroxy-2-[4-(2-methylpropyl)phenyl]acetic acid
CID 45117198
2-(2-hydroxyethoxy)-2-(4-methylphenyl)acetic acid
CID 83224145
2-(4-bromo-3-fluorophenyl)-2-propoxyacetic acid
CID 83224609
3-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid
CID 45117186
[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxymethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 118682684
3,3-dimethyl-2-[4-[4-(2-methylpropyl)phenyl]phenyl]butanoic acid
CID 71065139

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)phenyl]-2-propoxyacetic acid?
The IUPAC name of 2-[4-(2-methylpropyl)phenyl]-2-propoxyacetic acid (CID 83224518) is 2-[4-(2-methylpropyl)phenyl]-2-propoxyacetic acid.
What is the SMILES notation for 2-[4-(2-methylpropyl)phenyl]-2-propoxyacetic acid?
The canonical SMILES for 2-[4-(2-methylpropyl)phenyl]-2-propoxyacetic acid is CCCOC(C(=O)O)c1ccc(CC(C)C)cc1.
What is the InChIKey of 2-[4-(2-methylpropyl)phenyl]-2-propoxyacetic acid?
The InChIKey is NXKFENLNXZQENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-9-18-14(15(16)17)13-7-5-12(6-8-13)10-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-(2-methylpropyl)phenyl]-2-propoxyacetic acid?
2-[4-(2-methylpropyl)phenyl]-2-propoxyacetic acid has a molecular weight of 250.34 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)phenyl]-2-propoxyacetic acid is sourced from PubChem (CID 83224518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).