4-[1-(3,4-dimethylphenyl)ethyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene

C37H46 — CID 91524620

IUPAC4-[1-(3,4-dimethylphenyl)ethyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene
SMILESCc1ccc(C(C)(C)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(C)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C19H24.C18H22/c1-13-7-9-17(11-15(13)3)19(5,6)18-10-8-14(2)16(4)12-18;1-12-6-8-17(10-14(12)3)16(5)18-9-7-13(2)15(4)11-18/h7-12H,1-6H3;6-11,16H,1-5H3
InChIKeyFLJUHRUJEBRIRY-UHFFFAOYSA-N
MW490.78 g/mol
LogP10.32
Rot. Bonds4

About 4-[1-(3,4-dimethylphenyl)ethyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene

4-[1-(3,4-dimethylphenyl)ethyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene (PubChem CID 91524620) has the molecular formula C37H46 and a molecular weight of 490.78 g/mol. Its IUPAC name is 4-[1-(3,4-dimethylphenyl)ethyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[1-(3,4-dimethylphenyl)ethyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene
PubChem CID91524620
Molecular FormulaC37H46
Molecular Weight490.78 g/mol
Exact Mass490.36
IUPAC Name4-[1-(3,4-dimethylphenyl)ethyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene
SMILESCc1ccc(C(C)(C)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(C)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C19H24.C18H22/c1-13-7-9-17(11-15(13)3)19(5,6)18-10-8-14(2)16(4)12-18;1-12-6-8-17(10-14(12)3)16(5)18-9-7-13(2)15(4)11-18/h7-12H,1-6H3;6-11,16H,1-5H3
InChIKeyFLJUHRUJEBRIRY-UHFFFAOYSA-N
XLogP10.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.78
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
4-[1-[4-[1,1-bis(4-hydroxyphenyl)ethyl]-3-methylphenyl]ethyl]phenol
CID 91269009
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
[1-(3,4-dimethylphenyl)-2,2-dimethylpropyl]azanium
CID 59124075
(2S)-2-(3,4-dimethylphenyl)-3-methylbutan-2-ol
CID 94334038
4-(1-bromo-2-methylpropyl)-1,2-dimethylbenzene
CID 63436116
2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene
CID 145113474
1-[1-(3,4-dimethylphenyl)ethyl]-2,3-dimethylbenzene;ethane
CID 141181995
4-(1-bromo-3,4,4-trimethylpentyl)-1,2-dimethylbenzene
CID 63832623
1-(3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine
CID 63833414
4-(1-chloro-2-methylpropyl)-1,2-dimethylbenzene
CID 63427495
3-(3,4-dimethylphenyl)-2-hydroxy-2-methylbutanoic acid
CID 79304600

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dimethylphenyl)ethyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene?
The IUPAC name of 4-[1-(3,4-dimethylphenyl)ethyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene (CID 91524620) is 4-[1-(3,4-dimethylphenyl)ethyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[1-(3,4-dimethylphenyl)ethyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene?
The canonical SMILES for 4-[1-(3,4-dimethylphenyl)ethyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene is Cc1ccc(C(C)(C)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(C)c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of 4-[1-(3,4-dimethylphenyl)ethyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene?
The InChIKey is FLJUHRUJEBRIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24.C18H22/c1-13-7-9-17(11-15(13)3)19(5,6)18-10-8-14(2)16(4)12-18;1-12-6-8-17(10-14(12)3)16(5)18-9-7-13(2)15(4)11-18/h7-12H,1-6H3;6-11,16H,1-5H3.
What are the key properties of 4-[1-(3,4-dimethylphenyl)ethyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene?
4-[1-(3,4-dimethylphenyl)ethyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene has a molecular weight of 490.78 g/mol, XLogP of 10.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-dimethylphenyl)ethyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene is sourced from PubChem (CID 91524620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).