2,2,6-trimethyl-5-phenylmethoxy-4-propyl-3H-1-benzofuran

C21H26O2 — CID 67752620

IUPAC2,2,6-trimethyl-5-phenylmethoxy-4-propyl-3H-1-benzofuran
SMILESCCCc1c2c(cc(C)c1OCc1ccccc1)OC(C)(C)C2
InChIInChI=1S/C21H26O2/c1-5-9-17-18-13-21(3,4)23-19(18)12-15(2)20(17)22-14-16-10-7-6-8-11-16/h6-8,10-12H,5,9,13-14H2,1-4H3
InChIKeyJXVBKXDFVNUTFA-UHFFFAOYSA-N
MW310.44 g/mol
LogP5.24
Rot. Bonds5

About 2,2,6-trimethyl-5-phenylmethoxy-4-propyl-3H-1-benzofuran

2,2,6-trimethyl-5-phenylmethoxy-4-propyl-3H-1-benzofuran (PubChem CID 67752620) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2,2,6-trimethyl-5-phenylmethoxy-4-propyl-3H-1-benzofuran.

Molecular Properties

Compound Name2,2,6-trimethyl-5-phenylmethoxy-4-propyl-3H-1-benzofuran
PubChem CID67752620
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name2,2,6-trimethyl-5-phenylmethoxy-4-propyl-3H-1-benzofuran
SMILESCCCc1c2c(cc(C)c1OCc1ccccc1)OC(C)(C)C2
InChIInChI=1S/C21H26O2/c1-5-9-17-18-13-21(3,4)23-19(18)12-15(2)20(17)22-14-16-10-7-6-8-11-16/h6-8,10-12H,5,9,13-14H2,1-4H3
InChIKeyJXVBKXDFVNUTFA-UHFFFAOYSA-N
XLogP5.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2,6-trimethyl-5-phenylmethoxy-4-propyl-3H-1-benzofuran-7-yl)propanenitrile
CID 67752685
2,2-dimethyl-7-(2-methylpropyl)-5-phenylmethoxy-3H-chromen-4-one
CID 13364567
1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene
CID 142077651
(2,3,5-trimethyl-4-phenylmethoxy-6-propylphenoxy)methyl hypoiodite
CID 166169617
3-(2,2,5,7-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-8-yl)propanal
CID 19877353
1,3-dimethyl-2-phenylmethoxy-5-propan-2-ylbenzene
CID 59709239
3-(2,2,5,7-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-8-yl)propanoic acid
CID 67942088
3,5-dimethyl-4-phenylmethoxybenzamide
CID 97179397
3,5-dihydroxy-7-(2,2,4-trimethyl-5-phenylmethoxy-6-propan-2-yl-3H-1-benzofuran-7-yl)heptanoic acid
CID 67874874
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 100692444
ethyl 5-hydroxy-3-oxo-7-(2,2,4-trimethyl-5-phenylmethoxy-6-propan-2-yl-3H-1-benzofuran-7-yl)heptanoate
CID 19877306
1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919

Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-5-phenylmethoxy-4-propyl-3H-1-benzofuran?
The IUPAC name of 2,2,6-trimethyl-5-phenylmethoxy-4-propyl-3H-1-benzofuran (CID 67752620) is 2,2,6-trimethyl-5-phenylmethoxy-4-propyl-3H-1-benzofuran.
What is the SMILES notation for 2,2,6-trimethyl-5-phenylmethoxy-4-propyl-3H-1-benzofuran?
The canonical SMILES for 2,2,6-trimethyl-5-phenylmethoxy-4-propyl-3H-1-benzofuran is CCCc1c2c(cc(C)c1OCc1ccccc1)OC(C)(C)C2.
What is the InChIKey of 2,2,6-trimethyl-5-phenylmethoxy-4-propyl-3H-1-benzofuran?
The InChIKey is JXVBKXDFVNUTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2/c1-5-9-17-18-13-21(3,4)23-19(18)12-15(2)20(17)22-14-16-10-7-6-8-11-16/h6-8,10-12H,5,9,13-14H2,1-4H3.
What are the key properties of 2,2,6-trimethyl-5-phenylmethoxy-4-propyl-3H-1-benzofuran?
2,2,6-trimethyl-5-phenylmethoxy-4-propyl-3H-1-benzofuran has a molecular weight of 310.44 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-5-phenylmethoxy-4-propyl-3H-1-benzofuran is sourced from PubChem (CID 67752620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).