3-[4-[(3-cyclohexyloxyphenyl)methoxy]-3,5-difluorophenyl]propanoic acid

C22H24F2O4 — CID 23136302

IUPAC3-[4-[(3-cyclohexyloxyphenyl)methoxy]-3,5-difluorophenyl]propanoic acid
SMILESO=C(O)CCc1cc(F)c(OCc2cccc(OC3CCCCC3)c2)c(F)c1
InChIInChI=1S/C22H24F2O4/c23-19-12-15(9-10-21(25)26)13-20(24)22(19)27-14-16-5-4-8-18(11-16)28-17-6-2-1-3-7-17/h4-5,8,11-13,17H,1-3,6-7,9-10,14H2,(H,25,26)
InChIKeyMJGREUSXNSWHAP-UHFFFAOYSA-N
MW390.43 g/mol
LogP5.27
Rot. Bonds8

About 3-[4-[(3-cyclohexyloxyphenyl)methoxy]-3,5-difluorophenyl]propanoic acid

3-[4-[(3-cyclohexyloxyphenyl)methoxy]-3,5-difluorophenyl]propanoic acid (PubChem CID 23136302) has the molecular formula C22H24F2O4 and a molecular weight of 390.43 g/mol. Its IUPAC name is 3-[4-[(3-cyclohexyloxyphenyl)methoxy]-3,5-difluorophenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(3-cyclohexyloxyphenyl)methoxy]-3,5-difluorophenyl]propanoic acid
PubChem CID23136302
Molecular FormulaC22H24F2O4
Molecular Weight390.43 g/mol
Exact Mass390.16
IUPAC Name3-[4-[(3-cyclohexyloxyphenyl)methoxy]-3,5-difluorophenyl]propanoic acid
SMILESO=C(O)CCc1cc(F)c(OCc2cccc(OC3CCCCC3)c2)c(F)c1
InChIInChI=1S/C22H24F2O4/c23-19-12-15(9-10-21(25)26)13-20(24)22(19)27-14-16-5-4-8-18(11-16)28-17-6-2-1-3-7-17/h4-5,8,11-13,17H,1-3,6-7,9-10,14H2,(H,25,26)
InChIKeyMJGREUSXNSWHAP-UHFFFAOYSA-N
XLogP5.27
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.43
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-[(3-cyclohexyloxyphenyl)methoxy]-3,5-difluorophenyl]propanoic 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

3-[4-[(6-cyclohexylsulfanyl-2-pyridinyl)methoxy]-3,5-difluorophenyl]propanoic acid
CID 74222445
2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid
CID 119206123
ethyl 3-[3,5-difluoro-4-[[3-(2-methylpropoxy)phenyl]methoxy]phenyl]propanoate
CID 23136278
3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid
CID 117410573
2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155896532
4-[3-(oxan-3-yloxy)phenyl]butanoic acid
CID 117415298
4-[3-(3-cyclopentyloxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229659
(3-ethylphenoxy)cyclooctane
CID 91220327
1-cyclopropyl-3-(3-cyclopropyloxyphenyl)propan-1-one
CID 114522899
ethyl 3-[4-[[3-(4-chlorophenoxy)phenyl]methoxy]-3,5-difluorophenyl]propanoate
CID 23136377
3-[3,5-dibromo-4-[(3-propoxyphenyl)methoxy]phenyl]propanoic acid
CID 10299000
3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
CID 11300296

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-cyclohexyloxyphenyl)methoxy]-3,5-difluorophenyl]propanoic acid?
The IUPAC name of 3-[4-[(3-cyclohexyloxyphenyl)methoxy]-3,5-difluorophenyl]propanoic acid (CID 23136302) is 3-[4-[(3-cyclohexyloxyphenyl)methoxy]-3,5-difluorophenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(3-cyclohexyloxyphenyl)methoxy]-3,5-difluorophenyl]propanoic acid?
The canonical SMILES for 3-[4-[(3-cyclohexyloxyphenyl)methoxy]-3,5-difluorophenyl]propanoic acid is O=C(O)CCc1cc(F)c(OCc2cccc(OC3CCCCC3)c2)c(F)c1.
What is the InChIKey of 3-[4-[(3-cyclohexyloxyphenyl)methoxy]-3,5-difluorophenyl]propanoic acid?
The InChIKey is MJGREUSXNSWHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2O4/c23-19-12-15(9-10-21(25)26)13-20(24)22(19)27-14-16-5-4-8-18(11-16)28-17-6-2-1-3-7-17/h4-5,8,11-13,17H,1-3,6-7,9-10,14H2,(H,25,26).
What are the key properties of 3-[4-[(3-cyclohexyloxyphenyl)methoxy]-3,5-difluorophenyl]propanoic acid?
3-[4-[(3-cyclohexyloxyphenyl)methoxy]-3,5-difluorophenyl]propanoic acid has a molecular weight of 390.43 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-cyclohexyloxyphenyl)methoxy]-3,5-difluorophenyl]propanoic acid is sourced from PubChem (CID 23136302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).