cyclopropane;3-[3-[[3-(2-methoxyphenoxy)cyclobutyl]methoxy]phenyl]-2-methylpropanoic acid

C25H32O5 — CID 144899354

IUPACcyclopropane;3-[3-[[3-(2-methoxyphenoxy)cyclobutyl]methoxy]phenyl]-2-methylpropanoic acid
SMILESC1CC1.COc1ccccc1OC1CC(COc2cccc(CC(C)C(=O)O)c2)C1
InChIInChI=1S/C22H26O5.C3H6/c1-15(22(23)24)10-16-6-5-7-18(11-16)26-14-17-12-19(13-17)27-21-9-4-3-8-20(21)25-2;1-2-3-1/h3-9,11,15,17,19H,10,12-14H2,1-2H3,(H,23,24);1-3H2
InChIKeyLPZIUPXTAKUOSC-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.37
Rot. Bonds9

About cyclopropane;3-[3-[[3-(2-methoxyphenoxy)cyclobutyl]methoxy]phenyl]-2-methylpropanoic acid

cyclopropane;3-[3-[[3-(2-methoxyphenoxy)cyclobutyl]methoxy]phenyl]-2-methylpropanoic acid (PubChem CID 144899354) has the molecular formula C25H32O5 and a molecular weight of 412.53 g/mol. Its IUPAC name is cyclopropane;3-[3-[[3-(2-methoxyphenoxy)cyclobutyl]methoxy]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Namecyclopropane;3-[3-[[3-(2-methoxyphenoxy)cyclobutyl]methoxy]phenyl]-2-methylpropanoic acid
PubChem CID144899354
Molecular FormulaC25H32O5
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Namecyclopropane;3-[3-[[3-(2-methoxyphenoxy)cyclobutyl]methoxy]phenyl]-2-methylpropanoic acid
SMILESC1CC1.COc1ccccc1OC1CC(COc2cccc(CC(C)C(=O)O)c2)C1
InChIInChI=1S/C22H26O5.C3H6/c1-15(22(23)24)10-16-6-5-7-18(11-16)26-14-17-12-19(13-17)27-21-9-4-3-8-20(21)25-2;1-2-3-1/h3-9,11,15,17,19H,10,12-14H2,1-2H3,(H,23,24);1-3H2
InChIKeyLPZIUPXTAKUOSC-UHFFFAOYSA-N
XLogP5.37
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclopropane;3-[3-[[3-(2-methoxyphenoxy)cyclobutyl]methoxy]phenyl]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopropane;2-methyl-3-[3-[(3-phenoxycyclobutyl)methoxy]phenyl]propanoic acid
CID 144899368
2-methyl-3-[3-[[3-(2-propan-2-yloxyphenoxy)cyclobutyl]methoxy]phenyl]propanoic acid
CID 144899336
cyclopropane;2-methyl-3-[3-[[3-(2-methylpyrazol-3-yl)oxycyclobutyl]methoxy]phenyl]propanoic acid
CID 144899381
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
3-cyclopropyl-2-methyl-3-[3-[[3-(2-propan-2-yloxyphenoxy)cyclobutyl]methoxy]phenyl]propanoic acid
CID 123199473
3-(3-ethoxyphenyl)-2-methylpropanoic acid;zinc
CID 175118835
3-[3-(1,1-dioxothietan-3-yl)oxyphenyl]-2-methylpropanoic acid
CID 117457795
3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]-2-methylpropanoic acid
CID 117419672
3-[3-methoxy-4-(thietan-3-yloxy)phenyl]-2-methylpropanoic acid
CID 117453816
2-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 117444550
3-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropanoic acid
CID 117473404
ethane;methyl (2S)-3-[3-[[3-(2-methoxy-4-pyridinyl)cyclobutyl]methoxy]phenyl]-2-methylpropanoate
CID 144899366

Frequently Asked Questions

What is the IUPAC name of cyclopropane;3-[3-[[3-(2-methoxyphenoxy)cyclobutyl]methoxy]phenyl]-2-methylpropanoic acid?
The IUPAC name of cyclopropane;3-[3-[[3-(2-methoxyphenoxy)cyclobutyl]methoxy]phenyl]-2-methylpropanoic acid (CID 144899354) is cyclopropane;3-[3-[[3-(2-methoxyphenoxy)cyclobutyl]methoxy]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for cyclopropane;3-[3-[[3-(2-methoxyphenoxy)cyclobutyl]methoxy]phenyl]-2-methylpropanoic acid?
The canonical SMILES for cyclopropane;3-[3-[[3-(2-methoxyphenoxy)cyclobutyl]methoxy]phenyl]-2-methylpropanoic acid is C1CC1.COc1ccccc1OC1CC(COc2cccc(CC(C)C(=O)O)c2)C1.
What is the InChIKey of cyclopropane;3-[3-[[3-(2-methoxyphenoxy)cyclobutyl]methoxy]phenyl]-2-methylpropanoic acid?
The InChIKey is LPZIUPXTAKUOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O5.C3H6/c1-15(22(23)24)10-16-6-5-7-18(11-16)26-14-17-12-19(13-17)27-21-9-4-3-8-20(21)25-2;1-2-3-1/h3-9,11,15,17,19H,10,12-14H2,1-2H3,(H,23,24);1-3H2.
What are the key properties of cyclopropane;3-[3-[[3-(2-methoxyphenoxy)cyclobutyl]methoxy]phenyl]-2-methylpropanoic acid?
cyclopropane;3-[3-[[3-(2-methoxyphenoxy)cyclobutyl]methoxy]phenyl]-2-methylpropanoic acid has a molecular weight of 412.53 g/mol, XLogP of 5.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;3-[3-[[3-(2-methoxyphenoxy)cyclobutyl]methoxy]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 144899354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).