3,4,6-trimethyl-2-phenyl-1-benzofuran

C17H16O — CID 134310059

IUPAC3,4,6-trimethyl-2-phenyl-1-benzofuran
SMILESCc1cc(C)c2c(C)c(-c3ccccc3)oc2c1
InChIInChI=1S/C17H16O/c1-11-9-12(2)16-13(3)17(18-15(16)10-11)14-7-5-4-6-8-14/h4-10H,1-3H3
InChIKeyUAZSLDMFMRIGAK-UHFFFAOYSA-N
MW236.31 g/mol
LogP5.03
Rot. Bonds1

About 3,4,6-trimethyl-2-phenyl-1-benzofuran

3,4,6-trimethyl-2-phenyl-1-benzofuran (PubChem CID 134310059) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 3,4,6-trimethyl-2-phenyl-1-benzofuran.

Molecular Properties

Compound Name3,4,6-trimethyl-2-phenyl-1-benzofuran
PubChem CID134310059
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name3,4,6-trimethyl-2-phenyl-1-benzofuran
SMILESCc1cc(C)c2c(C)c(-c3ccccc3)oc2c1
InChIInChI=1S/C17H16O/c1-11-9-12(2)16-13(3)17(18-15(16)10-11)14-7-5-4-6-8-14/h4-10H,1-3H3
InChIKeyUAZSLDMFMRIGAK-UHFFFAOYSA-N
XLogP5.03
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.31
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-dimethyl-2,3,5-triphenyl-1-benzofuran
CID 102583822
3-(3-methoxyphenyl)-2-(4-methoxyphenyl)-4,6-dimethyl-1-benzofuran
CID 134310060
3-methyl-1-phenyldibenzofuran
CID 129266933
3,5,7-trimethyl-2-(2-methyl-2-oxo-1,3,2λ5-benzodioxaphosphol-5-yl)chromen-4-one
CID 91148528
1,2,5-trimethyl-3-phenylbenzene;hydrate
CID 130423762
6-methyl-2-phenyl-1-benzofuran-3-carbonitrile
CID 66559410
5-methyl-2-phenyl-1-benzofuran-3-ol
CID 71372497
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
5,7-dimethyl-2-(4-methylphenyl)-3-(2-oxopropoxy)chromen-4-one
CID 1413433
3-(chloromethyl)-4,5,7-trimethylchromen-2-one
CID 12868232
4,5-dihydroxy-7-methyl-3-phenylchromen-2-one
CID 174942178
4-[(5,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 20997924

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethyl-2-phenyl-1-benzofuran?
The IUPAC name of 3,4,6-trimethyl-2-phenyl-1-benzofuran (CID 134310059) is 3,4,6-trimethyl-2-phenyl-1-benzofuran.
What is the SMILES notation for 3,4,6-trimethyl-2-phenyl-1-benzofuran?
The canonical SMILES for 3,4,6-trimethyl-2-phenyl-1-benzofuran is Cc1cc(C)c2c(C)c(-c3ccccc3)oc2c1.
What is the InChIKey of 3,4,6-trimethyl-2-phenyl-1-benzofuran?
The InChIKey is UAZSLDMFMRIGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-11-9-12(2)16-13(3)17(18-15(16)10-11)14-7-5-4-6-8-14/h4-10H,1-3H3.
What are the key properties of 3,4,6-trimethyl-2-phenyl-1-benzofuran?
3,4,6-trimethyl-2-phenyl-1-benzofuran has a molecular weight of 236.31 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethyl-2-phenyl-1-benzofuran is sourced from PubChem (CID 134310059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).