cyclopropane;2-methyl-3-[3-[(3-phenoxycyclobutyl)methoxy]phenyl]propanoic acid

C24H30O4 — CID 144899368

IUPACcyclopropane;2-methyl-3-[3-[(3-phenoxycyclobutyl)methoxy]phenyl]propanoic acid
SMILESC1CC1.CC(Cc1cccc(OCC2CC(Oc3ccccc3)C2)c1)C(=O)O
InChIInChI=1S/C21H24O4.C3H6/c1-15(21(22)23)10-16-6-5-9-19(11-16)24-14-17-12-20(13-17)25-18-7-3-2-4-8-18;1-2-3-1/h2-9,11,15,17,20H,10,12-14H2,1H3,(H,22,23);1-3H2
InChIKeyONBDICUJMCDMMT-UHFFFAOYSA-N
MW382.50 g/mol
LogP5.36
Rot. Bonds8

About cyclopropane;2-methyl-3-[3-[(3-phenoxycyclobutyl)methoxy]phenyl]propanoic acid

cyclopropane;2-methyl-3-[3-[(3-phenoxycyclobutyl)methoxy]phenyl]propanoic acid (PubChem CID 144899368) has the molecular formula C24H30O4 and a molecular weight of 382.50 g/mol. Its IUPAC name is cyclopropane;2-methyl-3-[3-[(3-phenoxycyclobutyl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Namecyclopropane;2-methyl-3-[3-[(3-phenoxycyclobutyl)methoxy]phenyl]propanoic acid
PubChem CID144899368
Molecular FormulaC24H30O4
Molecular Weight382.50 g/mol
Exact Mass382.21
IUPAC Namecyclopropane;2-methyl-3-[3-[(3-phenoxycyclobutyl)methoxy]phenyl]propanoic acid
SMILESC1CC1.CC(Cc1cccc(OCC2CC(Oc3ccccc3)C2)c1)C(=O)O
InChIInChI=1S/C21H24O4.C3H6/c1-15(21(22)23)10-16-6-5-9-19(11-16)24-14-17-12-20(13-17)25-18-7-3-2-4-8-18;1-2-3-1/h2-9,11,15,17,20H,10,12-14H2,1H3,(H,22,23);1-3H2
InChIKeyONBDICUJMCDMMT-UHFFFAOYSA-N
XLogP5.36
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropane;3-[3-[[3-(2-methoxyphenoxy)cyclobutyl]methoxy]phenyl]-2-methylpropanoic acid
CID 144899354
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
3-[3-(1,1-dioxothietan-3-yl)oxyphenyl]-2-methylpropanoic acid
CID 117457795
3-(3-ethoxyphenyl)-2-methylpropanoic acid;zinc
CID 175118835
2-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 117444550
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
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
1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459309
(2S)-3-[3-[[(1S,2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]cyclopropyl]methoxy]phenyl]-2-methylpropanoic acid
CID 162617632

Frequently Asked Questions

What is the IUPAC name of cyclopropane;2-methyl-3-[3-[(3-phenoxycyclobutyl)methoxy]phenyl]propanoic acid?
The IUPAC name of cyclopropane;2-methyl-3-[3-[(3-phenoxycyclobutyl)methoxy]phenyl]propanoic acid (CID 144899368) is cyclopropane;2-methyl-3-[3-[(3-phenoxycyclobutyl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for cyclopropane;2-methyl-3-[3-[(3-phenoxycyclobutyl)methoxy]phenyl]propanoic acid?
The canonical SMILES for cyclopropane;2-methyl-3-[3-[(3-phenoxycyclobutyl)methoxy]phenyl]propanoic acid is C1CC1.CC(Cc1cccc(OCC2CC(Oc3ccccc3)C2)c1)C(=O)O.
What is the InChIKey of cyclopropane;2-methyl-3-[3-[(3-phenoxycyclobutyl)methoxy]phenyl]propanoic acid?
The InChIKey is ONBDICUJMCDMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4.C3H6/c1-15(21(22)23)10-16-6-5-9-19(11-16)24-14-17-12-20(13-17)25-18-7-3-2-4-8-18;1-2-3-1/h2-9,11,15,17,20H,10,12-14H2,1H3,(H,22,23);1-3H2.
What are the key properties of cyclopropane;2-methyl-3-[3-[(3-phenoxycyclobutyl)methoxy]phenyl]propanoic acid?
cyclopropane;2-methyl-3-[3-[(3-phenoxycyclobutyl)methoxy]phenyl]propanoic acid has a molecular weight of 382.50 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;2-methyl-3-[3-[(3-phenoxycyclobutyl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 144899368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).