3-(4-butylphenyl)-2-naphthalen-2-yloxypropanoic acid

C23H24O3 — CID 133241307

IUPAC3-(4-butylphenyl)-2-naphthalen-2-yloxypropanoic acid
SMILESCCCCc1ccc(CC(Oc2ccc3ccccc3c2)C(=O)O)cc1
InChIInChI=1S/C23H24O3/c1-2-3-6-17-9-11-18(12-10-17)15-22(23(24)25)26-21-14-13-19-7-4-5-8-20(19)16-21/h4-5,7-14,16,22H,2-3,6,15H2,1H3,(H,24,25)
InChIKeyXSLDJIMSGMPLRK-UHFFFAOYSA-N
MW348.44 g/mol
LogP5.26
Rot. Bonds8

About 3-(4-butylphenyl)-2-naphthalen-2-yloxypropanoic acid

3-(4-butylphenyl)-2-naphthalen-2-yloxypropanoic acid (PubChem CID 133241307) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is 3-(4-butylphenyl)-2-naphthalen-2-yloxypropanoic acid.

Molecular Properties

Compound Name3-(4-butylphenyl)-2-naphthalen-2-yloxypropanoic acid
PubChem CID133241307
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name3-(4-butylphenyl)-2-naphthalen-2-yloxypropanoic acid
SMILESCCCCc1ccc(CC(Oc2ccc3ccccc3c2)C(=O)O)cc1
InChIInChI=1S/C23H24O3/c1-2-3-6-17-9-11-18(12-10-17)15-22(23(24)25)26-21-14-13-19-7-4-5-8-20(19)16-21/h4-5,7-14,16,22H,2-3,6,15H2,1H3,(H,24,25)
InChIKeyXSLDJIMSGMPLRK-UHFFFAOYSA-N
XLogP5.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-(4-ethylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100530574
(2R)-2-naphthalen-2-yloxy-3-(4-phenoxyphenyl)propanoic acid
CID 100545011
(2R)-3-(4-butylphenyl)-2-(3,5-dimethylphenoxy)propanoic acid
CID 100548952
(2S)-3-(3,4-dimethylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100528680
(2S)-3-(4-butylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
CID 100549023
(2R)-N-(4-butylphenyl)-2-naphthalen-2-yloxybutanamide
CID 28573574
(2S)-3-(3-methylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100525262
(2R)-2-(2-tert-butylphenoxy)-3-(4-butylphenyl)propanoic acid
CID 100548911
(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 100542931
naphthalen-2-yl 4-butylbenzoate
CID 532284
2-(4-chlorophenoxy)-3-(4-propylphenyl)propanoic acid
CID 44589957
(2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid
CID 100544078

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylphenyl)-2-naphthalen-2-yloxypropanoic acid?
The IUPAC name of 3-(4-butylphenyl)-2-naphthalen-2-yloxypropanoic acid (CID 133241307) is 3-(4-butylphenyl)-2-naphthalen-2-yloxypropanoic acid.
What is the SMILES notation for 3-(4-butylphenyl)-2-naphthalen-2-yloxypropanoic acid?
The canonical SMILES for 3-(4-butylphenyl)-2-naphthalen-2-yloxypropanoic acid is CCCCc1ccc(CC(Oc2ccc3ccccc3c2)C(=O)O)cc1.
What is the InChIKey of 3-(4-butylphenyl)-2-naphthalen-2-yloxypropanoic acid?
The InChIKey is XSLDJIMSGMPLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c1-2-3-6-17-9-11-18(12-10-17)15-22(23(24)25)26-21-14-13-19-7-4-5-8-20(19)16-21/h4-5,7-14,16,22H,2-3,6,15H2,1H3,(H,24,25).
What are the key properties of 3-(4-butylphenyl)-2-naphthalen-2-yloxypropanoic acid?
3-(4-butylphenyl)-2-naphthalen-2-yloxypropanoic acid has a molecular weight of 348.44 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylphenyl)-2-naphthalen-2-yloxypropanoic acid is sourced from PubChem (CID 133241307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).