ethane;1-methyl-4-[1-[2-(2-phenylpropan-2-yl)phenyl]ethyl]benzene

C26H32 — CID 143180258

IUPACethane;1-methyl-4-[1-[2-(2-phenylpropan-2-yl)phenyl]ethyl]benzene
SMILESCC.Cc1ccc(C(C)c2ccccc2C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C24H26.C2H6/c1-18-14-16-20(17-15-18)19(2)22-12-8-9-13-23(22)24(3,4)21-10-6-5-7-11-21;1-2/h5-17,19H,1-4H3;1-2H3
InChIKeyUPYPVYAEZXHHJU-UHFFFAOYSA-N
MW344.54 g/mol
LogP7.50
Rot. Bonds4

About ethane;1-methyl-4-[1-[2-(2-phenylpropan-2-yl)phenyl]ethyl]benzene

ethane;1-methyl-4-[1-[2-(2-phenylpropan-2-yl)phenyl]ethyl]benzene (PubChem CID 143180258) has the molecular formula C26H32 and a molecular weight of 344.54 g/mol. Its IUPAC name is ethane;1-methyl-4-[1-[2-(2-phenylpropan-2-yl)phenyl]ethyl]benzene.

Molecular Properties

Compound Nameethane;1-methyl-4-[1-[2-(2-phenylpropan-2-yl)phenyl]ethyl]benzene
PubChem CID143180258
Molecular FormulaC26H32
Molecular Weight344.54 g/mol
Exact Mass344.25
IUPAC Nameethane;1-methyl-4-[1-[2-(2-phenylpropan-2-yl)phenyl]ethyl]benzene
SMILESCC.Cc1ccc(C(C)c2ccccc2C(C)(C)c2ccccc2)cc1
InChIInChI=1S/C24H26.C2H6/c1-18-14-16-20(17-15-18)19(2)22-12-8-9-13-23(22)24(3,4)21-10-6-5-7-11-21;1-2/h5-17,19H,1-4H3;1-2H3
InChIKeyUPYPVYAEZXHHJU-UHFFFAOYSA-N
XLogP7.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-phenylpropan-2-yl)-2,4-di(propan-2-yl)benzene
CID 170780571
1-pentan-3-yl-2-(2-phenylpropan-2-yl)benzene
CID 173025915
benzene;methane;1-methyl-4-[2-(1-phenylethyl)phenyl]benzene
CID 143650226
4-[1-(3-methylphenyl)ethyl]-2-(2-phenylpropan-2-yl)phenol
CID 91605400
2-methyl-1,3-bis(1-phenylethyl)benzene
CID 58862393
1-(2-phenylpropan-2-yl)-2-[2-(2-phenylpropan-2-yl)phenyl]sulfanylbenzene
CID 156695476
1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene
CID 159818582
tris(tert-butylbenzene);ethane;toluene
CID 158234120
ethane;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene;1-methyl-4-[(4-methylphenyl)-phenylmethyl]benzene
CID 160759704
1-benzhydryl-4-methylbenzene;1,1'-biphenyl;ethane;1-phenylethylbenzene
CID 161255951
cumene;ethane;methane;1-methyl-4-propan-2-ylbenzene
CID 159265894
2-phenylpropan-2-ylbenzene
CID 13065

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[1-[2-(2-phenylpropan-2-yl)phenyl]ethyl]benzene?
The IUPAC name of ethane;1-methyl-4-[1-[2-(2-phenylpropan-2-yl)phenyl]ethyl]benzene (CID 143180258) is ethane;1-methyl-4-[1-[2-(2-phenylpropan-2-yl)phenyl]ethyl]benzene.
What is the SMILES notation for ethane;1-methyl-4-[1-[2-(2-phenylpropan-2-yl)phenyl]ethyl]benzene?
The canonical SMILES for ethane;1-methyl-4-[1-[2-(2-phenylpropan-2-yl)phenyl]ethyl]benzene is CC.Cc1ccc(C(C)c2ccccc2C(C)(C)c2ccccc2)cc1.
What is the InChIKey of ethane;1-methyl-4-[1-[2-(2-phenylpropan-2-yl)phenyl]ethyl]benzene?
The InChIKey is UPYPVYAEZXHHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26.C2H6/c1-18-14-16-20(17-15-18)19(2)22-12-8-9-13-23(22)24(3,4)21-10-6-5-7-11-21;1-2/h5-17,19H,1-4H3;1-2H3.
What are the key properties of ethane;1-methyl-4-[1-[2-(2-phenylpropan-2-yl)phenyl]ethyl]benzene?
ethane;1-methyl-4-[1-[2-(2-phenylpropan-2-yl)phenyl]ethyl]benzene has a molecular weight of 344.54 g/mol, XLogP of 7.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[1-[2-(2-phenylpropan-2-yl)phenyl]ethyl]benzene is sourced from PubChem (CID 143180258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).