3-[3-(4-methoxyphenyl)furan-2-yl]-2,5-diphenylfuran

C27H20O3 — CID 175558606

IUPAC3-[3-(4-methoxyphenyl)furan-2-yl]-2,5-diphenylfuran
SMILESCOc1ccc(-c2ccoc2-c2cc(-c3ccccc3)oc2-c2ccccc2)cc1
InChIInChI=1S/C27H20O3/c1-28-22-14-12-19(13-15-22)23-16-17-29-27(23)24-18-25(20-8-4-2-5-9-20)30-26(24)21-10-6-3-7-11-21/h2-18H,1H3
InChIKeyPBRWRCWKYSPGMU-UHFFFAOYSA-N
MW392.45 g/mol
LogP7.55
Rot. Bonds5

About 3-[3-(4-methoxyphenyl)furan-2-yl]-2,5-diphenylfuran

3-[3-(4-methoxyphenyl)furan-2-yl]-2,5-diphenylfuran (PubChem CID 175558606) has the molecular formula C27H20O3 and a molecular weight of 392.45 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)furan-2-yl]-2,5-diphenylfuran.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)furan-2-yl]-2,5-diphenylfuran
PubChem CID175558606
Molecular FormulaC27H20O3
Molecular Weight392.45 g/mol
Exact Mass392.14
IUPAC Name3-[3-(4-methoxyphenyl)furan-2-yl]-2,5-diphenylfuran
SMILESCOc1ccc(-c2ccoc2-c2cc(-c3ccccc3)oc2-c2ccccc2)cc1
InChIInChI=1S/C27H20O3/c1-28-22-14-12-19(13-15-22)23-16-17-29-27(23)24-18-25(20-8-4-2-5-9-20)30-26(24)21-10-6-3-7-11-21/h2-18H,1H3
InChIKeyPBRWRCWKYSPGMU-UHFFFAOYSA-N
XLogP7.55
TPSA35.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.45
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)furan-2-yl]-2,5-diphenylfuran?
The IUPAC name of 3-[3-(4-methoxyphenyl)furan-2-yl]-2,5-diphenylfuran (CID 175558606) is 3-[3-(4-methoxyphenyl)furan-2-yl]-2,5-diphenylfuran.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)furan-2-yl]-2,5-diphenylfuran?
The canonical SMILES for 3-[3-(4-methoxyphenyl)furan-2-yl]-2,5-diphenylfuran is COc1ccc(-c2ccoc2-c2cc(-c3ccccc3)oc2-c2ccccc2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)furan-2-yl]-2,5-diphenylfuran?
The InChIKey is PBRWRCWKYSPGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20O3/c1-28-22-14-12-19(13-15-22)23-16-17-29-27(23)24-18-25(20-8-4-2-5-9-20)30-26(24)21-10-6-3-7-11-21/h2-18H,1H3.
What are the key properties of 3-[3-(4-methoxyphenyl)furan-2-yl]-2,5-diphenylfuran?
3-[3-(4-methoxyphenyl)furan-2-yl]-2,5-diphenylfuran has a molecular weight of 392.45 g/mol, XLogP of 7.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)furan-2-yl]-2,5-diphenylfuran is sourced from PubChem (CID 175558606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).