cyclopropane;ethane;methyl 3-[3-[1-[5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-2-hydroxyethoxy]-4-methylphenyl]-2-methylpropanoate

C31H40FNO5 — CID 144688901

IUPACcyclopropane;ethane;methyl 3-[3-[1-[5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-2-hydroxyethoxy]-4-methylphenyl]-2-methylpropanoate
SMILESC1CC1.CC.COC(=O)C(C)Cc1ccc(C)c(OC(CO)c2ccc(-c3cc(OC)ccc3F)cn2)c1
InChIInChI=1S/C26H28FNO5.C3H6.C2H6/c1-16-5-6-18(11-17(2)26(30)32-4)12-24(16)33-25(15-29)23-10-7-19(14-28-23)21-13-20(31-3)8-9-22(21)27;1-2-3-1;1-2/h5-10,12-14,17,25,29H,11,15H2,1-4H3;1-3H2;1-2H3
InChIKeyMJOHDTMOSITLAW-UHFFFAOYSA-N
MW525.66 g/mol
LogP6.87
Rot. Bonds9

About cyclopropane;ethane;methyl 3-[3-[1-[5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-2-hydroxyethoxy]-4-methylphenyl]-2-methylpropanoate

cyclopropane;ethane;methyl 3-[3-[1-[5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-2-hydroxyethoxy]-4-methylphenyl]-2-methylpropanoate (PubChem CID 144688901) has the molecular formula C31H40FNO5 and a molecular weight of 525.66 g/mol. Its IUPAC name is cyclopropane;ethane;methyl 3-[3-[1-[5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-2-hydroxyethoxy]-4-methylphenyl]-2-methylpropanoate.

Molecular Properties

Compound Namecyclopropane;ethane;methyl 3-[3-[1-[5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-2-hydroxyethoxy]-4-methylphenyl]-2-methylpropanoate
PubChem CID144688901
Molecular FormulaC31H40FNO5
Molecular Weight525.66 g/mol
Exact Mass525.29
IUPAC Namecyclopropane;ethane;methyl 3-[3-[1-[5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-2-hydroxyethoxy]-4-methylphenyl]-2-methylpropanoate
SMILESC1CC1.CC.COC(=O)C(C)Cc1ccc(C)c(OC(CO)c2ccc(-c3cc(OC)ccc3F)cn2)c1
InChIInChI=1S/C26H28FNO5.C3H6.C2H6/c1-16-5-6-18(11-17(2)26(30)32-4)12-24(16)33-25(15-29)23-10-7-19(14-28-23)21-13-20(31-3)8-9-22(21)27;1-2-3-1;1-2/h5-10,12-14,17,25,29H,11,15H2,1-4H3;1-3H2;1-2H3
InChIKeyMJOHDTMOSITLAW-UHFFFAOYSA-N
XLogP6.87
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.66
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cyclopropane;ethane;methyl 3-[3-[1-[5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-2-hydroxyethoxy]-4-methylphenyl]-2-methylpropanoate with MolForge

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Related Compounds

cyclopropane;methyl 3-[3-[1-[2-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]butoxy]-4-methylphenyl]-2-methylpropanoate
CID 145011377
ethane;methyl (2S)-3-[3-[5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-2-methylpropanoate
CID 144688834
cyclopropane;methyl 3-[2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1,2,3,4-tetrahydroquinolin-7-yl]-2-methylpropanoate
CID 145377850
cyclopropane;methyl 3-[3-[6-(2-fluoro-5-methoxyphenyl)-2-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-2-methylpropanoate
CID 144688778
ethane;methyl 2-methyl-3-(4-methylphenyl)propanoate
CID 143972030
methyl (2S)-3-[4-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]phenyl]-2-methylpropanoate
CID 170645609
methyl (2R)-2-methyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propanoate
CID 159670756
2-[[4-(2-fluoro-5-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 137436494
1-[5-(2-fluoro-5-methoxyphenyl)-2-methylphenyl]ethanone
CID 175647166
3-[2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1-methyl-3,4-dihydro-2H-quinolin-7-yl]-2-methylpropanoic acid
CID 131974909
dimethyl 2-[(3-methoxy-4-methylphenyl)methyl]propanedioate
CID 18626507
ethyl 2-(4-fluoro-3-phenylphenoxy)propanoate
CID 141200416

Frequently Asked Questions

What is the IUPAC name of cyclopropane;ethane;methyl 3-[3-[1-[5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-2-hydroxyethoxy]-4-methylphenyl]-2-methylpropanoate?
The IUPAC name of cyclopropane;ethane;methyl 3-[3-[1-[5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-2-hydroxyethoxy]-4-methylphenyl]-2-methylpropanoate (CID 144688901) is cyclopropane;ethane;methyl 3-[3-[1-[5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-2-hydroxyethoxy]-4-methylphenyl]-2-methylpropanoate.
What is the SMILES notation for cyclopropane;ethane;methyl 3-[3-[1-[5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-2-hydroxyethoxy]-4-methylphenyl]-2-methylpropanoate?
The canonical SMILES for cyclopropane;ethane;methyl 3-[3-[1-[5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-2-hydroxyethoxy]-4-methylphenyl]-2-methylpropanoate is C1CC1.CC.COC(=O)C(C)Cc1ccc(C)c(OC(CO)c2ccc(-c3cc(OC)ccc3F)cn2)c1.
What is the InChIKey of cyclopropane;ethane;methyl 3-[3-[1-[5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-2-hydroxyethoxy]-4-methylphenyl]-2-methylpropanoate?
The InChIKey is MJOHDTMOSITLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FNO5.C3H6.C2H6/c1-16-5-6-18(11-17(2)26(30)32-4)12-24(16)33-25(15-29)23-10-7-19(14-28-23)21-13-20(31-3)8-9-22(21)27;1-2-3-1;1-2/h5-10,12-14,17,25,29H,11,15H2,1-4H3;1-3H2;1-2H3.
What are the key properties of cyclopropane;ethane;methyl 3-[3-[1-[5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-2-hydroxyethoxy]-4-methylphenyl]-2-methylpropanoate?
cyclopropane;ethane;methyl 3-[3-[1-[5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-2-hydroxyethoxy]-4-methylphenyl]-2-methylpropanoate has a molecular weight of 525.66 g/mol, XLogP of 6.87, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;ethane;methyl 3-[3-[1-[5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-2-hydroxyethoxy]-4-methylphenyl]-2-methylpropanoate is sourced from PubChem (CID 144688901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).