3-benzyl-4-methoxy-2-methyl-5-phenylfuran

C19H18O2 — CID 102384286

IUPAC3-benzyl-4-methoxy-2-methyl-5-phenylfuran
SMILESCOc1c(-c2ccccc2)oc(C)c1Cc1ccccc1
InChIInChI=1S/C19H18O2/c1-14-17(13-15-9-5-3-6-10-15)19(20-2)18(21-14)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3
InChIKeyPBZYDXYHWNDYKZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.85
Rot. Bonds4

About 3-benzyl-4-methoxy-2-methyl-5-phenylfuran

3-benzyl-4-methoxy-2-methyl-5-phenylfuran (PubChem CID 102384286) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-benzyl-4-methoxy-2-methyl-5-phenylfuran.

Molecular Properties

Compound Name3-benzyl-4-methoxy-2-methyl-5-phenylfuran
PubChem CID102384286
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name3-benzyl-4-methoxy-2-methyl-5-phenylfuran
SMILESCOc1c(-c2ccccc2)oc(C)c1Cc1ccccc1
InChIInChI=1S/C19H18O2/c1-14-17(13-15-9-5-3-6-10-15)19(20-2)18(21-14)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3
InChIKeyPBZYDXYHWNDYKZ-UHFFFAOYSA-N
XLogP4.85
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(hydroxymethyl)-2-methyl-5-phenylfuran-3-yl]methanol
CID 13435365
4-benzyl-3-methyl-5-phenyl-1,2-oxazole
CID 14978502
2-benzyl-1,3-dimethoxy-5-phenylbenzene
CID 16741983
benzylbenzene;methoxymethane
CID 161110966
5-benzyl-4-methoxy-6-methyl-2-phenylpyrimidine
CID 2223258
2-benzyl-5-phenyl-3,4-dipropylfuran
CID 102050941
2-benzyl-1,4-dimethyl-3-phenylnaphthalene
CID 102201254
2-phenyl-5-phenylmethoxy-3-(3,4,5-trimethoxyphenyl)-1-benzofuran
CID 102296681
3,4-dibenzyl-2-methylfuran
CID 90990620
2-methyl-3-(4-methylphenyl)-4,5-diphenylfuran
CID 15024793
benzylbenzene;ethane;methoxymethane
CID 159187560
3-benzyl-2-methyl-7-pentoxychromen-4-one
CID 86159473

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-methoxy-2-methyl-5-phenylfuran?
The IUPAC name of 3-benzyl-4-methoxy-2-methyl-5-phenylfuran (CID 102384286) is 3-benzyl-4-methoxy-2-methyl-5-phenylfuran.
What is the SMILES notation for 3-benzyl-4-methoxy-2-methyl-5-phenylfuran?
The canonical SMILES for 3-benzyl-4-methoxy-2-methyl-5-phenylfuran is COc1c(-c2ccccc2)oc(C)c1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-methoxy-2-methyl-5-phenylfuran?
The InChIKey is PBZYDXYHWNDYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-14-17(13-15-9-5-3-6-10-15)19(20-2)18(21-14)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3.
What are the key properties of 3-benzyl-4-methoxy-2-methyl-5-phenylfuran?
3-benzyl-4-methoxy-2-methyl-5-phenylfuran has a molecular weight of 278.35 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-methoxy-2-methyl-5-phenylfuran is sourced from PubChem (CID 102384286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).