1-(3,5-dimethyl-3-phenylheptyl)-3-(2-methoxypropan-2-yl)benzene

C25H36O — CID 118262868

IUPAC1-(3,5-dimethyl-3-phenylheptyl)-3-(2-methoxypropan-2-yl)benzene
SMILESCCC(C)CC(C)(CCc1cccc(C(C)(C)OC)c1)c1ccccc1
InChIInChI=1S/C25H36O/c1-7-20(2)19-25(5,22-13-9-8-10-14-22)17-16-21-12-11-15-23(18-21)24(3,4)26-6/h8-15,18,20H,7,16-17,19H2,1-6H3
InChIKeyLPVYEYOEIVIXBU-UHFFFAOYSA-N
MW352.56 g/mol
LogP6.89
Rot. Bonds9

About 1-(3,5-dimethyl-3-phenylheptyl)-3-(2-methoxypropan-2-yl)benzene

1-(3,5-dimethyl-3-phenylheptyl)-3-(2-methoxypropan-2-yl)benzene (PubChem CID 118262868) has the molecular formula C25H36O and a molecular weight of 352.56 g/mol. Its IUPAC name is 1-(3,5-dimethyl-3-phenylheptyl)-3-(2-methoxypropan-2-yl)benzene.

Molecular Properties

Compound Name1-(3,5-dimethyl-3-phenylheptyl)-3-(2-methoxypropan-2-yl)benzene
PubChem CID118262868
Molecular FormulaC25H36O
Molecular Weight352.56 g/mol
Exact Mass352.28
IUPAC Name1-(3,5-dimethyl-3-phenylheptyl)-3-(2-methoxypropan-2-yl)benzene
SMILESCCC(C)CC(C)(CCc1cccc(C(C)(C)OC)c1)c1ccccc1
InChIInChI=1S/C25H36O/c1-7-20(2)19-25(5,22-13-9-8-10-14-22)17-16-21-12-11-15-23(18-21)24(3,4)26-6/h8-15,18,20H,7,16-17,19H2,1-6H3
InChIKeyLPVYEYOEIVIXBU-UHFFFAOYSA-N
XLogP6.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.56
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-3-phenylheptyl)-3-(2-methoxypropan-2-yl)benzene?
The IUPAC name of 1-(3,5-dimethyl-3-phenylheptyl)-3-(2-methoxypropan-2-yl)benzene (CID 118262868) is 1-(3,5-dimethyl-3-phenylheptyl)-3-(2-methoxypropan-2-yl)benzene.
What is the SMILES notation for 1-(3,5-dimethyl-3-phenylheptyl)-3-(2-methoxypropan-2-yl)benzene?
The canonical SMILES for 1-(3,5-dimethyl-3-phenylheptyl)-3-(2-methoxypropan-2-yl)benzene is CCC(C)CC(C)(CCc1cccc(C(C)(C)OC)c1)c1ccccc1.
What is the InChIKey of 1-(3,5-dimethyl-3-phenylheptyl)-3-(2-methoxypropan-2-yl)benzene?
The InChIKey is LPVYEYOEIVIXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O/c1-7-20(2)19-25(5,22-13-9-8-10-14-22)17-16-21-12-11-15-23(18-21)24(3,4)26-6/h8-15,18,20H,7,16-17,19H2,1-6H3.
What are the key properties of 1-(3,5-dimethyl-3-phenylheptyl)-3-(2-methoxypropan-2-yl)benzene?
1-(3,5-dimethyl-3-phenylheptyl)-3-(2-methoxypropan-2-yl)benzene has a molecular weight of 352.56 g/mol, XLogP of 6.89, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-3-phenylheptyl)-3-(2-methoxypropan-2-yl)benzene is sourced from PubChem (CID 118262868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).