3,4-dibenzyl-2-methylfuran

C19H18O — CID 90990620

IUPAC3,4-dibenzyl-2-methylfuran
SMILESCc1occ(Cc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C19H18O/c1-15-19(13-17-10-6-3-7-11-17)18(14-20-15)12-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3
InChIKeyWGHMVPZSSYLRSJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.77
Rot. Bonds4

About 3,4-dibenzyl-2-methylfuran

3,4-dibenzyl-2-methylfuran (PubChem CID 90990620) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is 3,4-dibenzyl-2-methylfuran.

Molecular Properties

Compound Name3,4-dibenzyl-2-methylfuran
PubChem CID90990620
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name3,4-dibenzyl-2-methylfuran
SMILESCc1occ(Cc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C19H18O/c1-15-19(13-17-10-6-3-7-11-17)18(14-20-15)12-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3
InChIKeyWGHMVPZSSYLRSJ-UHFFFAOYSA-N
XLogP4.77
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
benzylbenzene;ethane;methanamine
CID 54117827
benzylbenzene;methoxymethane
CID 161110966
3,4-dibenzyl-2,6-dimethylpyridine
CID 139645873
(2-benzyl-3-methylphenyl)phosphane
CID 54016986
2-benzyl-1-iodo-3-methylbenzene
CID 91202861
phenyl(113C)methylbenzene
CID 11194569
benzylbenzene;ethane;methoxymethane
CID 159187560
3-benzyl-7-bromo-1-benzofuran
CID 59344886
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
1,4-dibenzylbenzene;ethane
CID 91406396

Frequently Asked Questions

What is the IUPAC name of 3,4-dibenzyl-2-methylfuran?
The IUPAC name of 3,4-dibenzyl-2-methylfuran (CID 90990620) is 3,4-dibenzyl-2-methylfuran.
What is the SMILES notation for 3,4-dibenzyl-2-methylfuran?
The canonical SMILES for 3,4-dibenzyl-2-methylfuran is Cc1occ(Cc2ccccc2)c1Cc1ccccc1.
What is the InChIKey of 3,4-dibenzyl-2-methylfuran?
The InChIKey is WGHMVPZSSYLRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O/c1-15-19(13-17-10-6-3-7-11-17)18(14-20-15)12-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3.
What are the key properties of 3,4-dibenzyl-2-methylfuran?
3,4-dibenzyl-2-methylfuran has a molecular weight of 262.35 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibenzyl-2-methylfuran is sourced from PubChem (CID 90990620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).