ethane;3-[4-(4-methoxy-3,5-dimethylphenyl)phenyl]-1-benzofuran

C25H26O2 — CID 91354364

IUPACethane;3-[4-(4-methoxy-3,5-dimethylphenyl)phenyl]-1-benzofuran
SMILESCC.COc1c(C)cc(-c2ccc(-c3coc4ccccc34)cc2)cc1C
InChIInChI=1S/C23H20O2.C2H6/c1-15-12-19(13-16(2)23(15)24-3)17-8-10-18(11-9-17)21-14-25-22-7-5-4-6-20(21)22;1-2/h4-14H,1-3H3;1-2H3
InChIKeyIOQYPKBVYOICGD-UHFFFAOYSA-N
MW358.48 g/mol
LogP7.42
Rot. Bonds3

About ethane;3-[4-(4-methoxy-3,5-dimethylphenyl)phenyl]-1-benzofuran

ethane;3-[4-(4-methoxy-3,5-dimethylphenyl)phenyl]-1-benzofuran (PubChem CID 91354364) has the molecular formula C25H26O2 and a molecular weight of 358.48 g/mol. Its IUPAC name is ethane;3-[4-(4-methoxy-3,5-dimethylphenyl)phenyl]-1-benzofuran.

Molecular Properties

Compound Nameethane;3-[4-(4-methoxy-3,5-dimethylphenyl)phenyl]-1-benzofuran
PubChem CID91354364
Molecular FormulaC25H26O2
Molecular Weight358.48 g/mol
Exact Mass358.19
IUPAC Nameethane;3-[4-(4-methoxy-3,5-dimethylphenyl)phenyl]-1-benzofuran
SMILESCC.COc1c(C)cc(-c2ccc(-c3coc4ccccc34)cc2)cc1C
InChIInChI=1S/C23H20O2.C2H6/c1-15-12-19(13-16(2)23(15)24-3)17-8-10-18(11-9-17)21-14-25-22-7-5-4-6-20(21)22;1-2/h4-14H,1-3H3;1-2H3
InChIKeyIOQYPKBVYOICGD-UHFFFAOYSA-N
XLogP7.42
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[4-(4-methoxy-3,5-dimethylphenyl)phenyl]-1-benzofuran?
The IUPAC name of ethane;3-[4-(4-methoxy-3,5-dimethylphenyl)phenyl]-1-benzofuran (CID 91354364) is ethane;3-[4-(4-methoxy-3,5-dimethylphenyl)phenyl]-1-benzofuran.
What is the SMILES notation for ethane;3-[4-(4-methoxy-3,5-dimethylphenyl)phenyl]-1-benzofuran?
The canonical SMILES for ethane;3-[4-(4-methoxy-3,5-dimethylphenyl)phenyl]-1-benzofuran is CC.COc1c(C)cc(-c2ccc(-c3coc4ccccc34)cc2)cc1C.
What is the InChIKey of ethane;3-[4-(4-methoxy-3,5-dimethylphenyl)phenyl]-1-benzofuran?
The InChIKey is IOQYPKBVYOICGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2.C2H6/c1-15-12-19(13-16(2)23(15)24-3)17-8-10-18(11-9-17)21-14-25-22-7-5-4-6-20(21)22;1-2/h4-14H,1-3H3;1-2H3.
What are the key properties of ethane;3-[4-(4-methoxy-3,5-dimethylphenyl)phenyl]-1-benzofuran?
ethane;3-[4-(4-methoxy-3,5-dimethylphenyl)phenyl]-1-benzofuran has a molecular weight of 358.48 g/mol, XLogP of 7.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[4-(4-methoxy-3,5-dimethylphenyl)phenyl]-1-benzofuran is sourced from PubChem (CID 91354364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).