2,5-bis(2-fluoro-4-methoxyphenyl)-3-(4-methoxyphenyl)-1-propylpyrrole

C28H27F2NO3 — CID 71514000

IUPAC2,5-bis(2-fluoro-4-methoxyphenyl)-3-(4-methoxyphenyl)-1-propylpyrrole
SMILESCCCn1c(-c2ccc(OC)cc2F)cc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1F
InChIInChI=1S/C28H27F2NO3/c1-5-14-31-27(22-12-10-20(33-3)15-25(22)29)17-24(18-6-8-19(32-2)9-7-18)28(31)23-13-11-21(34-4)16-26(23)30/h6-13,15-17H,5,14H2,1-4H3
InChIKeyWCHUZNCAGOEDKV-UHFFFAOYSA-N
MW463.52 g/mol
LogP7.20
Rot. Bonds8

About 2,5-bis(2-fluoro-4-methoxyphenyl)-3-(4-methoxyphenyl)-1-propylpyrrole

2,5-bis(2-fluoro-4-methoxyphenyl)-3-(4-methoxyphenyl)-1-propylpyrrole (PubChem CID 71514000) has the molecular formula C28H27F2NO3 and a molecular weight of 463.52 g/mol. Its IUPAC name is 2,5-bis(2-fluoro-4-methoxyphenyl)-3-(4-methoxyphenyl)-1-propylpyrrole.

Molecular Properties

Compound Name2,5-bis(2-fluoro-4-methoxyphenyl)-3-(4-methoxyphenyl)-1-propylpyrrole
PubChem CID71514000
Molecular FormulaC28H27F2NO3
Molecular Weight463.52 g/mol
Exact Mass463.20
IUPAC Name2,5-bis(2-fluoro-4-methoxyphenyl)-3-(4-methoxyphenyl)-1-propylpyrrole
SMILESCCCn1c(-c2ccc(OC)cc2F)cc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1F
InChIInChI=1S/C28H27F2NO3/c1-5-14-31-27(22-12-10-20(33-3)15-25(22)29)17-24(18-6-8-19(32-2)9-7-18)28(31)23-13-11-21(34-4)16-26(23)30/h6-13,15-17H,5,14H2,1-4H3
InChIKeyWCHUZNCAGOEDKV-UHFFFAOYSA-N
XLogP7.20
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.52
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4,5-bis(2-fluoro-4-hydroxyphenyl)-1-propylpyrrol-2-yl]-3-fluorophenol
CID 71460882
2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221
4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene
CID 146522341
[4-(2-fluoro-4-methoxyphenyl)phenyl]methanamine
CID 61034326
2-fluoro-4-[2-(4-methoxyphenyl)ethyl]-1-(4-propylphenyl)benzene
CID 19906916
2-(2-chloro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1-methylpyrrole
CID 71513763
2-(4-methoxyphenyl)-5-methyl-1-propylpyrrole
CID 82081578
9-decyl-2,3,6,7-tetrakis(4-methoxyphenyl)carbazole
CID 122366143
1-[4-(2-fluoro-4-methoxyphenyl)phenyl]propan-2-one
CID 82541027
3-(bromomethyl)-4-ethyl-5-(2-fluoro-4-methoxyphenyl)-1,2,4-triazole
CID 102885880
ethyl 5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 42878869
2-(2-fluoro-4-methoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene
CID 139856467

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-fluoro-4-methoxyphenyl)-3-(4-methoxyphenyl)-1-propylpyrrole?
The IUPAC name of 2,5-bis(2-fluoro-4-methoxyphenyl)-3-(4-methoxyphenyl)-1-propylpyrrole (CID 71514000) is 2,5-bis(2-fluoro-4-methoxyphenyl)-3-(4-methoxyphenyl)-1-propylpyrrole.
What is the SMILES notation for 2,5-bis(2-fluoro-4-methoxyphenyl)-3-(4-methoxyphenyl)-1-propylpyrrole?
The canonical SMILES for 2,5-bis(2-fluoro-4-methoxyphenyl)-3-(4-methoxyphenyl)-1-propylpyrrole is CCCn1c(-c2ccc(OC)cc2F)cc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1F.
What is the InChIKey of 2,5-bis(2-fluoro-4-methoxyphenyl)-3-(4-methoxyphenyl)-1-propylpyrrole?
The InChIKey is WCHUZNCAGOEDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2NO3/c1-5-14-31-27(22-12-10-20(33-3)15-25(22)29)17-24(18-6-8-19(32-2)9-7-18)28(31)23-13-11-21(34-4)16-26(23)30/h6-13,15-17H,5,14H2,1-4H3.
What are the key properties of 2,5-bis(2-fluoro-4-methoxyphenyl)-3-(4-methoxyphenyl)-1-propylpyrrole?
2,5-bis(2-fluoro-4-methoxyphenyl)-3-(4-methoxyphenyl)-1-propylpyrrole has a molecular weight of 463.52 g/mol, XLogP of 7.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-fluoro-4-methoxyphenyl)-3-(4-methoxyphenyl)-1-propylpyrrole is sourced from PubChem (CID 71514000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).