2-methyl-3-[3-[[3-(2-propan-2-yloxyphenoxy)cyclobutyl]methoxy]phenyl]propanoic acid

C24H30O5 — CID 144899336

IUPAC2-methyl-3-[3-[[3-(2-propan-2-yloxyphenoxy)cyclobutyl]methoxy]phenyl]propanoic acid
SMILESCC(C)Oc1ccccc1OC1CC(COc2cccc(CC(C)C(=O)O)c2)C1
InChIInChI=1S/C24H30O5/c1-16(2)28-22-9-4-5-10-23(22)29-21-13-19(14-21)15-27-20-8-6-7-18(12-20)11-17(3)24(25)26/h4-10,12,16-17,19,21H,11,13-15H2,1-3H3,(H,25,26)
InChIKeyDDRLCQIJLGXWID-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.97
Rot. Bonds10

About 2-methyl-3-[3-[[3-(2-propan-2-yloxyphenoxy)cyclobutyl]methoxy]phenyl]propanoic acid

2-methyl-3-[3-[[3-(2-propan-2-yloxyphenoxy)cyclobutyl]methoxy]phenyl]propanoic acid (PubChem CID 144899336) has the molecular formula C24H30O5 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-methyl-3-[3-[[3-(2-propan-2-yloxyphenoxy)cyclobutyl]methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[3-[[3-(2-propan-2-yloxyphenoxy)cyclobutyl]methoxy]phenyl]propanoic acid
PubChem CID144899336
Molecular FormulaC24H30O5
Molecular Weight398.50 g/mol
Exact Mass398.21
IUPAC Name2-methyl-3-[3-[[3-(2-propan-2-yloxyphenoxy)cyclobutyl]methoxy]phenyl]propanoic acid
SMILESCC(C)Oc1ccccc1OC1CC(COc2cccc(CC(C)C(=O)O)c2)C1
InChIInChI=1S/C24H30O5/c1-16(2)28-22-9-4-5-10-23(22)29-21-13-19(14-21)15-27-20-8-6-7-18(12-20)11-17(3)24(25)26/h4-10,12,16-17,19,21H,11,13-15H2,1-3H3,(H,25,26)
InChIKeyDDRLCQIJLGXWID-UHFFFAOYSA-N
XLogP4.97
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-[3-[[3-(2-propan-2-yloxyphenoxy)cyclobutyl]methoxy]phenyl]propanoic acid with MolForge

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Related Compounds

cyclopropane;3-[3-[[3-(2-methoxyphenoxy)cyclobutyl]methoxy]phenyl]-2-methylpropanoic acid
CID 144899354
cyclopropane;2-methyl-3-[3-[(3-phenoxycyclobutyl)methoxy]phenyl]propanoic acid
CID 144899368
3-cyclopropyl-2-methyl-3-[3-[[3-(2-propan-2-yloxyphenoxy)cyclobutyl]methoxy]phenyl]propanoic acid
CID 123199473
cyclopropane;2-methyl-3-[3-[[3-(2-methylpyrazol-3-yl)oxycyclobutyl]methoxy]phenyl]propanoic acid
CID 144899381
3-(3-ethoxyphenyl)-2-methylpropanoic acid;zinc
CID 175118835
3-[3-(1,1-dioxothietan-3-yl)oxyphenyl]-2-methylpropanoic acid
CID 117457795
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
2-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 117444550
CID 67530586
CID 67530586
2-methyl-3-[3-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]phenyl]propanoic acid
CID 144899472
(2S,3R)-3-cyclopropyl-3-[3-[[3-(3-ethoxyphenoxy)cyclobutyl]methoxy]phenyl]-2-methylpropanoic acid
CID 118301917
3-[3-(cyclopropylmethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170881542

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-[[3-(2-propan-2-yloxyphenoxy)cyclobutyl]methoxy]phenyl]propanoic acid?
The IUPAC name of 2-methyl-3-[3-[[3-(2-propan-2-yloxyphenoxy)cyclobutyl]methoxy]phenyl]propanoic acid (CID 144899336) is 2-methyl-3-[3-[[3-(2-propan-2-yloxyphenoxy)cyclobutyl]methoxy]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[3-[[3-(2-propan-2-yloxyphenoxy)cyclobutyl]methoxy]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-3-[3-[[3-(2-propan-2-yloxyphenoxy)cyclobutyl]methoxy]phenyl]propanoic acid is CC(C)Oc1ccccc1OC1CC(COc2cccc(CC(C)C(=O)O)c2)C1.
What is the InChIKey of 2-methyl-3-[3-[[3-(2-propan-2-yloxyphenoxy)cyclobutyl]methoxy]phenyl]propanoic acid?
The InChIKey is DDRLCQIJLGXWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O5/c1-16(2)28-22-9-4-5-10-23(22)29-21-13-19(14-21)15-27-20-8-6-7-18(12-20)11-17(3)24(25)26/h4-10,12,16-17,19,21H,11,13-15H2,1-3H3,(H,25,26).
What are the key properties of 2-methyl-3-[3-[[3-(2-propan-2-yloxyphenoxy)cyclobutyl]methoxy]phenyl]propanoic acid?
2-methyl-3-[3-[[3-(2-propan-2-yloxyphenoxy)cyclobutyl]methoxy]phenyl]propanoic acid has a molecular weight of 398.50 g/mol, XLogP of 4.97, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-[[3-(2-propan-2-yloxyphenoxy)cyclobutyl]methoxy]phenyl]propanoic acid is sourced from PubChem (CID 144899336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).