3-benzyl-1-butan-2-yl-2,4-dimethoxy-5-propan-2-ylbenzene

C22H30O2 — CID 173340893

IUPAC3-benzyl-1-butan-2-yl-2,4-dimethoxy-5-propan-2-ylbenzene
SMILESCCC(C)c1cc(C(C)C)c(OC)c(Cc2ccccc2)c1OC
InChIInChI=1S/C22H30O2/c1-7-16(4)19-14-18(15(2)3)21(23-5)20(22(19)24-6)13-17-11-9-8-10-12-17/h8-12,14-16H,7,13H2,1-6H3
InChIKeyZTZUCTYIURHCIN-UHFFFAOYSA-N
MW326.48 g/mol
LogP5.93
Rot. Bonds7

About 3-benzyl-1-butan-2-yl-2,4-dimethoxy-5-propan-2-ylbenzene

3-benzyl-1-butan-2-yl-2,4-dimethoxy-5-propan-2-ylbenzene (PubChem CID 173340893) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 3-benzyl-1-butan-2-yl-2,4-dimethoxy-5-propan-2-ylbenzene.

Molecular Properties

Compound Name3-benzyl-1-butan-2-yl-2,4-dimethoxy-5-propan-2-ylbenzene
PubChem CID173340893
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name3-benzyl-1-butan-2-yl-2,4-dimethoxy-5-propan-2-ylbenzene
SMILESCCC(C)c1cc(C(C)C)c(OC)c(Cc2ccccc2)c1OC
InChIInChI=1S/C22H30O2/c1-7-16(4)19-14-18(15(2)3)21(23-5)20(22(19)24-6)13-17-11-9-8-10-12-17/h8-12,14-16H,7,13H2,1-6H3
InChIKeyZTZUCTYIURHCIN-UHFFFAOYSA-N
XLogP5.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene
CID 10804189
1-benzyl-2-methoxy-5-(4-methylphenoxy)-3-propan-2-ylbenzene
CID 174428153
1-benzyl-2-propan-2-ylbenzene
CID 13215617
1-butan-2-yl-2-propan-2-ylbenzene;ethane
CID 143715642
1-benzyl-5-(2,6-dibromo-4-methylphenoxy)-2-methoxy-3-propan-2-ylbenzene
CID 174428165
1-benzyl-3-butan-2-ylbenzene
CID 15748559
1,5-di(butan-2-yl)-2-(3,4-dimethoxy-2-methylphenyl)-4-phenyl-3-propylbenzene
CID 123205311
1-benzyl-4-methyl-2-propan-2-ylbenzene
CID 59400391
1-ethyl-5-methoxy-4-phenylmethoxy-2-propan-2-ylbenzene
CID 121405987
4-benzyl-6-[(4-hydroxy-3-propan-2-ylphenyl)methyl]benzene-1,2,3-triol
CID 58626406
2-[(2-benzyl-3-butan-2-ylphenyl)methyl]furan
CID 173340637
benzylbenzene;methoxymethane
CID 161110966

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-butan-2-yl-2,4-dimethoxy-5-propan-2-ylbenzene?
The IUPAC name of 3-benzyl-1-butan-2-yl-2,4-dimethoxy-5-propan-2-ylbenzene (CID 173340893) is 3-benzyl-1-butan-2-yl-2,4-dimethoxy-5-propan-2-ylbenzene.
What is the SMILES notation for 3-benzyl-1-butan-2-yl-2,4-dimethoxy-5-propan-2-ylbenzene?
The canonical SMILES for 3-benzyl-1-butan-2-yl-2,4-dimethoxy-5-propan-2-ylbenzene is CCC(C)c1cc(C(C)C)c(OC)c(Cc2ccccc2)c1OC.
What is the InChIKey of 3-benzyl-1-butan-2-yl-2,4-dimethoxy-5-propan-2-ylbenzene?
The InChIKey is ZTZUCTYIURHCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2/c1-7-16(4)19-14-18(15(2)3)21(23-5)20(22(19)24-6)13-17-11-9-8-10-12-17/h8-12,14-16H,7,13H2,1-6H3.
What are the key properties of 3-benzyl-1-butan-2-yl-2,4-dimethoxy-5-propan-2-ylbenzene?
3-benzyl-1-butan-2-yl-2,4-dimethoxy-5-propan-2-ylbenzene has a molecular weight of 326.48 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-butan-2-yl-2,4-dimethoxy-5-propan-2-ylbenzene is sourced from PubChem (CID 173340893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).