1-[2,2-bis(3-methylphenyl)propyl]-3-prop-1-en-2-ylbenzene

C26H28 — CID 143472200

IUPAC1-[2,2-bis(3-methylphenyl)propyl]-3-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cccc(CC(C)(c2cccc(C)c2)c2cccc(C)c2)c1
InChIInChI=1S/C26H28/c1-19(2)23-12-8-11-22(17-23)18-26(5,24-13-6-9-20(3)15-24)25-14-7-10-21(4)16-25/h6-17H,1,18H2,2-5H3
InChIKeyBAXSYIRBVWFYHF-UHFFFAOYSA-N
MW340.51 g/mol
LogP6.89
Rot. Bonds5

About 1-[2,2-bis(3-methylphenyl)propyl]-3-prop-1-en-2-ylbenzene

1-[2,2-bis(3-methylphenyl)propyl]-3-prop-1-en-2-ylbenzene (PubChem CID 143472200) has the molecular formula C26H28 and a molecular weight of 340.51 g/mol. Its IUPAC name is 1-[2,2-bis(3-methylphenyl)propyl]-3-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-[2,2-bis(3-methylphenyl)propyl]-3-prop-1-en-2-ylbenzene
PubChem CID143472200
Molecular FormulaC26H28
Molecular Weight340.51 g/mol
Exact Mass340.22
IUPAC Name1-[2,2-bis(3-methylphenyl)propyl]-3-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cccc(CC(C)(c2cccc(C)c2)c2cccc(C)c2)c1
InChIInChI=1S/C26H28/c1-19(2)23-12-8-11-22(17-23)18-26(5,24-13-6-9-20(3)15-24)25-14-7-10-21(4)16-25/h6-17H,1,18H2,2-5H3
InChIKeyBAXSYIRBVWFYHF-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2,2-bis(3-methylphenyl)propyl]-4-methylbenzene;1-but-1-en-2-yl-3-ethylbenzene;2-tert-butyl-1-methyl-4-prop-1-en-2-ylbenzene;bis(2,2-dimethylpropane);methane
CID 143472512
ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene
CID 142829669
1,2-bis(3-methylphenyl)propan-2-ol
CID 60798209
1-prop-1-en-2-yl-3-propylbenzene
CID 22486655
1-ethyl-3-prop-1-en-2-ylbenzene
CID 14178225
1-(1,1-difluoroethyl)-3-prop-1-en-2-ylbenzene
CID 134569595
1-[2-methyl-4-[3-[2-methyl-4-(3-prop-1-en-2-ylphenyl)pent-4-en-2-yl]phenyl]pent-4-en-2-yl]-3-prop-1-en-2-ylbenzene
CID 58759055
1,1,2-tris(3-methylphenyl)ethylphosphane
CID 155600016
2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001727
(2R)-2-(3-methylphenyl)pentan-2-ol
CID 93299051
2-tert-butyl-1-methyl-4-prop-1-en-2-ylbenzene;1,3-dimethyl-5-[2-[4-(2-methylpropyl)phenyl]-1-phenylpropan-2-yl]benzene;methane;2,2,3-trimethylbutane
CID 143472691
1,3-bis(prop-1-en-2-yl)benzene;2-tert-butylperoxy-2-methylpropane
CID 175999840

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(3-methylphenyl)propyl]-3-prop-1-en-2-ylbenzene?
The IUPAC name of 1-[2,2-bis(3-methylphenyl)propyl]-3-prop-1-en-2-ylbenzene (CID 143472200) is 1-[2,2-bis(3-methylphenyl)propyl]-3-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-[2,2-bis(3-methylphenyl)propyl]-3-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-[2,2-bis(3-methylphenyl)propyl]-3-prop-1-en-2-ylbenzene is C=C(C)c1cccc(CC(C)(c2cccc(C)c2)c2cccc(C)c2)c1.
What is the InChIKey of 1-[2,2-bis(3-methylphenyl)propyl]-3-prop-1-en-2-ylbenzene?
The InChIKey is BAXSYIRBVWFYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28/c1-19(2)23-12-8-11-22(17-23)18-26(5,24-13-6-9-20(3)15-24)25-14-7-10-21(4)16-25/h6-17H,1,18H2,2-5H3.
What are the key properties of 1-[2,2-bis(3-methylphenyl)propyl]-3-prop-1-en-2-ylbenzene?
1-[2,2-bis(3-methylphenyl)propyl]-3-prop-1-en-2-ylbenzene has a molecular weight of 340.51 g/mol, XLogP of 6.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(3-methylphenyl)propyl]-3-prop-1-en-2-ylbenzene is sourced from PubChem (CID 143472200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).