1,5-di(butan-2-yl)-2-(3,4-dimethoxy-2-methylphenyl)-4-phenyl-3-propylbenzene

C32H42O2 — CID 123205311

IUPAC1,5-di(butan-2-yl)-2-(3,4-dimethoxy-2-methylphenyl)-4-phenyl-3-propylbenzene
SMILESCCCc1c(-c2ccccc2)c(C(C)CC)cc(C(C)CC)c1-c1ccc(OC)c(OC)c1C
InChIInChI=1S/C32H42O2/c1-9-15-26-30(24-16-13-12-14-17-24)27(21(4)10-2)20-28(22(5)11-3)31(26)25-18-19-29(33-7)32(34-8)23(25)6/h12-14,16-22H,9-11,15H2,1-8H3
InChIKeyWHSULQFEJXZOGN-UHFFFAOYSA-N
MW458.69 g/mol
LogP9.33
Rot. Bonds10

About 1,5-di(butan-2-yl)-2-(3,4-dimethoxy-2-methylphenyl)-4-phenyl-3-propylbenzene

1,5-di(butan-2-yl)-2-(3,4-dimethoxy-2-methylphenyl)-4-phenyl-3-propylbenzene (PubChem CID 123205311) has the molecular formula C32H42O2 and a molecular weight of 458.69 g/mol. Its IUPAC name is 1,5-di(butan-2-yl)-2-(3,4-dimethoxy-2-methylphenyl)-4-phenyl-3-propylbenzene.

Molecular Properties

Compound Name1,5-di(butan-2-yl)-2-(3,4-dimethoxy-2-methylphenyl)-4-phenyl-3-propylbenzene
PubChem CID123205311
Molecular FormulaC32H42O2
Molecular Weight458.69 g/mol
Exact Mass458.32
IUPAC Name1,5-di(butan-2-yl)-2-(3,4-dimethoxy-2-methylphenyl)-4-phenyl-3-propylbenzene
SMILESCCCc1c(-c2ccccc2)c(C(C)CC)cc(C(C)CC)c1-c1ccc(OC)c(OC)c1C
InChIInChI=1S/C32H42O2/c1-9-15-26-30(24-16-13-12-14-17-24)27(21(4)10-2)20-28(22(5)11-3)31(26)25-18-19-29(33-7)32(34-8)23(25)6/h12-14,16-22H,9-11,15H2,1-8H3
InChIKeyWHSULQFEJXZOGN-UHFFFAOYSA-N
XLogP9.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.69
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yl-4-methyl-2-phenyl-3,5-dipropylbenzene
CID 123655158
[2-(2-iodonio-3,4-dimethoxyphenyl)-4-phenyl-3,5-dipropylphenyl]-methylphosphanium
CID 144800257
1,3-di(butan-2-yl)-4-butyl-2,5-diphenylbenzene
CID 123884738
1,3-di(butan-2-yl)-2-methyl-4-phenyl-5-propylbenzene
CID 123827327
3-benzyl-1-butan-2-yl-2,4-dimethoxy-5-propan-2-ylbenzene
CID 173340893
2-methoxy-1,4-dimethyl-3,5-diphenylbenzene
CID 173306181
[2-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxy-3-(4-phenylphenyl)naphthalen-1-yl]-methyl-methylideneazanium
CID 90897948
[2-phenyl-4,6-di(propan-2-yl)-3-propylphenyl]methanol
CID 22005326
1,2,4,5-tetramethoxy-3-methyl-6-phenylbenzene
CID 90709146
2-butan-2-yl-1,4-diphenylbenzene
CID 57314523
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
5,6-dimethoxy-1,3-diphenylnaphthalen-2-ol
CID 10915274

Frequently Asked Questions

What is the IUPAC name of 1,5-di(butan-2-yl)-2-(3,4-dimethoxy-2-methylphenyl)-4-phenyl-3-propylbenzene?
The IUPAC name of 1,5-di(butan-2-yl)-2-(3,4-dimethoxy-2-methylphenyl)-4-phenyl-3-propylbenzene (CID 123205311) is 1,5-di(butan-2-yl)-2-(3,4-dimethoxy-2-methylphenyl)-4-phenyl-3-propylbenzene.
What is the SMILES notation for 1,5-di(butan-2-yl)-2-(3,4-dimethoxy-2-methylphenyl)-4-phenyl-3-propylbenzene?
The canonical SMILES for 1,5-di(butan-2-yl)-2-(3,4-dimethoxy-2-methylphenyl)-4-phenyl-3-propylbenzene is CCCc1c(-c2ccccc2)c(C(C)CC)cc(C(C)CC)c1-c1ccc(OC)c(OC)c1C.
What is the InChIKey of 1,5-di(butan-2-yl)-2-(3,4-dimethoxy-2-methylphenyl)-4-phenyl-3-propylbenzene?
The InChIKey is WHSULQFEJXZOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42O2/c1-9-15-26-30(24-16-13-12-14-17-24)27(21(4)10-2)20-28(22(5)11-3)31(26)25-18-19-29(33-7)32(34-8)23(25)6/h12-14,16-22H,9-11,15H2,1-8H3.
What are the key properties of 1,5-di(butan-2-yl)-2-(3,4-dimethoxy-2-methylphenyl)-4-phenyl-3-propylbenzene?
1,5-di(butan-2-yl)-2-(3,4-dimethoxy-2-methylphenyl)-4-phenyl-3-propylbenzene has a molecular weight of 458.69 g/mol, XLogP of 9.33, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-di(butan-2-yl)-2-(3,4-dimethoxy-2-methylphenyl)-4-phenyl-3-propylbenzene is sourced from PubChem (CID 123205311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).