methyl 2-(4-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)furan-3-carboxylate

C26H21FO5 — CID 122400276

IUPACmethyl 2-(4-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)furan-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OCc3ccccc3)c(OC)c2)oc1-c1ccc(F)cc1
InChIInChI=1S/C26H21FO5/c1-29-24-14-19(10-13-22(24)31-16-17-6-4-3-5-7-17)23-15-21(26(28)30-2)25(32-23)18-8-11-20(27)12-9-18/h3-15H,16H2,1-2H3
InChIKeyAWBANFVIZNQJNF-UHFFFAOYSA-N
MW432.45 g/mol
LogP6.13
Rot. Bonds7

About methyl 2-(4-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)furan-3-carboxylate

methyl 2-(4-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)furan-3-carboxylate (PubChem CID 122400276) has the molecular formula C26H21FO5 and a molecular weight of 432.45 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)furan-3-carboxylate
PubChem CID122400276
Molecular FormulaC26H21FO5
Molecular Weight432.45 g/mol
Exact Mass432.14
IUPAC Namemethyl 2-(4-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)furan-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OCc3ccccc3)c(OC)c2)oc1-c1ccc(F)cc1
InChIInChI=1S/C26H21FO5/c1-29-24-14-19(10-13-22(24)31-16-17-6-4-3-5-7-17)23-15-21(26(28)30-2)25(32-23)18-8-11-20(27)12-9-18/h3-15H,16H2,1-2H3
InChIKeyAWBANFVIZNQJNF-UHFFFAOYSA-N
XLogP6.13
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.45
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)furan-3-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)furan-3-carboxylate (CID 122400276) is methyl 2-(4-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)furan-3-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)furan-3-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)furan-3-carboxylate is COC(=O)c1cc(-c2ccc(OCc3ccccc3)c(OC)c2)oc1-c1ccc(F)cc1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)furan-3-carboxylate?
The InChIKey is AWBANFVIZNQJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FO5/c1-29-24-14-19(10-13-22(24)31-16-17-6-4-3-5-7-17)23-15-21(26(28)30-2)25(32-23)18-8-11-20(27)12-9-18/h3-15H,16H2,1-2H3.
What are the key properties of methyl 2-(4-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)furan-3-carboxylate?
methyl 2-(4-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)furan-3-carboxylate has a molecular weight of 432.45 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-5-(3-methoxy-4-phenylmethoxyphenyl)furan-3-carboxylate is sourced from PubChem (CID 122400276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).