5,5-dimethyl-4-phenyl-3-(2-phenylprop-2-enyl)-2H-furan

C21H22O — CID 102371047

IUPAC5,5-dimethyl-4-phenyl-3-(2-phenylprop-2-enyl)-2H-furan
SMILESC=C(CC1=C(c2ccccc2)C(C)(C)OC1)c1ccccc1
InChIInChI=1S/C21H22O/c1-16(17-10-6-4-7-11-17)14-19-15-22-21(2,3)20(19)18-12-8-5-9-13-18/h4-13H,1,14-15H2,2-3H3
InChIKeyAZSWIOSXQQRKMD-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.35
Rot. Bonds4

About 5,5-dimethyl-4-phenyl-3-(2-phenylprop-2-enyl)-2H-furan

5,5-dimethyl-4-phenyl-3-(2-phenylprop-2-enyl)-2H-furan (PubChem CID 102371047) has the molecular formula C21H22O and a molecular weight of 290.41 g/mol. Its IUPAC name is 5,5-dimethyl-4-phenyl-3-(2-phenylprop-2-enyl)-2H-furan.

Molecular Properties

Compound Name5,5-dimethyl-4-phenyl-3-(2-phenylprop-2-enyl)-2H-furan
PubChem CID102371047
Molecular FormulaC21H22O
Molecular Weight290.41 g/mol
Exact Mass290.17
IUPAC Name5,5-dimethyl-4-phenyl-3-(2-phenylprop-2-enyl)-2H-furan
SMILESC=C(CC1=C(c2ccccc2)C(C)(C)OC1)c1ccccc1
InChIInChI=1S/C21H22O/c1-16(17-10-6-4-7-11-17)14-19-15-22-21(2,3)20(19)18-12-8-5-9-13-18/h4-13H,1,14-15H2,2-3H3
InChIKeyAZSWIOSXQQRKMD-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dibenzyl ether
CID 7657
Benzyl octyl ether
CID 347508
Bis(1-phenylethyl) ether
CID 62342
2,2-Diphenyltetrahydrofuran
CID 70175
Methyl trityl ether
CID 136388
Ethyl trityl ether
CID 294563
Benzene, [2-(cyclohexyloxy)ethyl]-
CID 166527
2H-Pyran, 3,6-dihydro-4-methyl-2-phenyl-
CID 108443
2H-Pyran, tetrahydro-2-methyl-4-methylene-6-phenyl-
CID 121777
2H-Pyran, tetrahydro-4-methyl-2-phenyl-, (2R,4S)-rel-
CID 15640305
1-(2-Methoxypropan-2-yl)-4-methylbenzene
CID 14121774
cis-Stilbene oxide
CID 98511

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-phenyl-3-(2-phenylprop-2-enyl)-2H-furan?
The IUPAC name of 5,5-dimethyl-4-phenyl-3-(2-phenylprop-2-enyl)-2H-furan (CID 102371047) is 5,5-dimethyl-4-phenyl-3-(2-phenylprop-2-enyl)-2H-furan.
What is the SMILES notation for 5,5-dimethyl-4-phenyl-3-(2-phenylprop-2-enyl)-2H-furan?
The canonical SMILES for 5,5-dimethyl-4-phenyl-3-(2-phenylprop-2-enyl)-2H-furan is C=C(CC1=C(c2ccccc2)C(C)(C)OC1)c1ccccc1.
What is the InChIKey of 5,5-dimethyl-4-phenyl-3-(2-phenylprop-2-enyl)-2H-furan?
The InChIKey is AZSWIOSXQQRKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O/c1-16(17-10-6-4-7-11-17)14-19-15-22-21(2,3)20(19)18-12-8-5-9-13-18/h4-13H,1,14-15H2,2-3H3.
What are the key properties of 5,5-dimethyl-4-phenyl-3-(2-phenylprop-2-enyl)-2H-furan?
5,5-dimethyl-4-phenyl-3-(2-phenylprop-2-enyl)-2H-furan has a molecular weight of 290.41 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-phenyl-3-(2-phenylprop-2-enyl)-2H-furan is sourced from PubChem (CID 102371047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).