2-methyl-5-phenyl-3-[(Z)-1-phenylprop-1-en-2-yl]furan

C20H18O — CID 173398472

IUPAC2-methyl-5-phenyl-3-[(Z)-1-phenylprop-1-en-2-yl]furan
SMILESC/C(=C/c1ccccc1)c1cc(-c2ccccc2)oc1C
InChIInChI=1S/C20H18O/c1-15(13-17-9-5-3-6-10-17)19-14-20(21-16(19)2)18-11-7-4-8-12-18/h3-14H,1-2H3/b15-13-
InChIKeyWZQVEVMPZASXSR-SQFISAMPSA-N
MW274.36 g/mol
LogP5.82
Rot. Bonds3

About 2-methyl-5-phenyl-3-[(Z)-1-phenylprop-1-en-2-yl]furan

2-methyl-5-phenyl-3-[(Z)-1-phenylprop-1-en-2-yl]furan (PubChem CID 173398472) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-methyl-5-phenyl-3-[(Z)-1-phenylprop-1-en-2-yl]furan.

Molecular Properties

Compound Name2-methyl-5-phenyl-3-[(Z)-1-phenylprop-1-en-2-yl]furan
PubChem CID173398472
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name2-methyl-5-phenyl-3-[(Z)-1-phenylprop-1-en-2-yl]furan
SMILESC/C(=C/c1ccccc1)c1cc(-c2ccccc2)oc1C
InChIInChI=1S/C20H18O/c1-15(13-17-9-5-3-6-10-17)19-14-20(21-16(19)2)18-11-7-4-8-12-18/h3-14H,1-2H3/b15-13-
InChIKeyWZQVEVMPZASXSR-SQFISAMPSA-N
XLogP5.82
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.36
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-3-[(Z)-1-phenylprop-1-en-2-yl]furan?
The IUPAC name of 2-methyl-5-phenyl-3-[(Z)-1-phenylprop-1-en-2-yl]furan (CID 173398472) is 2-methyl-5-phenyl-3-[(Z)-1-phenylprop-1-en-2-yl]furan.
What is the SMILES notation for 2-methyl-5-phenyl-3-[(Z)-1-phenylprop-1-en-2-yl]furan?
The canonical SMILES for 2-methyl-5-phenyl-3-[(Z)-1-phenylprop-1-en-2-yl]furan is C/C(=C/c1ccccc1)c1cc(-c2ccccc2)oc1C.
What is the InChIKey of 2-methyl-5-phenyl-3-[(Z)-1-phenylprop-1-en-2-yl]furan?
The InChIKey is WZQVEVMPZASXSR-SQFISAMPSA-N. The full InChI is InChI=1S/C20H18O/c1-15(13-17-9-5-3-6-10-17)19-14-20(21-16(19)2)18-11-7-4-8-12-18/h3-14H,1-2H3/b15-13-.
What are the key properties of 2-methyl-5-phenyl-3-[(Z)-1-phenylprop-1-en-2-yl]furan?
2-methyl-5-phenyl-3-[(Z)-1-phenylprop-1-en-2-yl]furan has a molecular weight of 274.36 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-3-[(Z)-1-phenylprop-1-en-2-yl]furan is sourced from PubChem (CID 173398472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).