benzene;methane;1-methyl-4-[2-(1-phenylethyl)phenyl]benzene

C28H30 — CID 143650226

IUPACbenzene;methane;1-methyl-4-[2-(1-phenylethyl)phenyl]benzene
SMILESC.Cc1ccc(-c2ccccc2C(C)c2ccccc2)cc1.c1ccccc1
InChIInChI=1S/C21H20.C6H6.CH4/c1-16-12-14-19(15-13-16)21-11-7-6-10-20(21)17(2)18-8-4-3-5-9-18;1-2-4-6-5-3-1;/h3-15,17H,1-2H3;1-6H;1H4
InChIKeyMXLGXVRWHBQAPX-UHFFFAOYSA-N
MW366.55 g/mol
LogP8.14
Rot. Bonds3

About benzene;methane;1-methyl-4-[2-(1-phenylethyl)phenyl]benzene

benzene;methane;1-methyl-4-[2-(1-phenylethyl)phenyl]benzene (PubChem CID 143650226) has the molecular formula C28H30 and a molecular weight of 366.55 g/mol. Its IUPAC name is benzene;methane;1-methyl-4-[2-(1-phenylethyl)phenyl]benzene.

Molecular Properties

Compound Namebenzene;methane;1-methyl-4-[2-(1-phenylethyl)phenyl]benzene
PubChem CID143650226
Molecular FormulaC28H30
Molecular Weight366.55 g/mol
Exact Mass366.23
IUPAC Namebenzene;methane;1-methyl-4-[2-(1-phenylethyl)phenyl]benzene
SMILESC.Cc1ccc(-c2ccccc2C(C)c2ccccc2)cc1.c1ccccc1
InChIInChI=1S/C21H20.C6H6.CH4/c1-16-12-14-19(15-13-16)21-11-7-6-10-20(21)17(2)18-8-4-3-5-9-18;1-2-4-6-5-3-1;/h3-15,17H,1-2H3;1-6H;1H4
InChIKeyMXLGXVRWHBQAPX-UHFFFAOYSA-N
XLogP8.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-methyl-2-phenyl-1-(1-phenylethyl)benzene
CID 123164572
2-methyl-1,3-bis(1-phenylethyl)benzene
CID 58862393
1-(difluoromethyl)-2-(4-methylphenyl)benzene
CID 154426240
1-benzhydryl-4-methylbenzene;1,1'-biphenyl;ethane;1-phenylethylbenzene
CID 161255951
ethane;methane;1-phenylethylbenzene
CID 143105414
cumene;ethane;methane;1-methyl-4-propan-2-ylbenzene
CID 159265894
ethane;1-phenyl-2-propan-2-ylbenzene
CID 161308506
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene
CID 142851428
4-methyl-2-(1-phenylethyl)benzenethiol
CID 24822888
1,3-dimethyl-2-[1-[2-(1-phenylethyl)phenyl]ethyl]benzene
CID 3024109
4-methyl-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline
CID 162252807

Frequently Asked Questions

What is the IUPAC name of benzene;methane;1-methyl-4-[2-(1-phenylethyl)phenyl]benzene?
The IUPAC name of benzene;methane;1-methyl-4-[2-(1-phenylethyl)phenyl]benzene (CID 143650226) is benzene;methane;1-methyl-4-[2-(1-phenylethyl)phenyl]benzene.
What is the SMILES notation for benzene;methane;1-methyl-4-[2-(1-phenylethyl)phenyl]benzene?
The canonical SMILES for benzene;methane;1-methyl-4-[2-(1-phenylethyl)phenyl]benzene is C.Cc1ccc(-c2ccccc2C(C)c2ccccc2)cc1.c1ccccc1.
What is the InChIKey of benzene;methane;1-methyl-4-[2-(1-phenylethyl)phenyl]benzene?
The InChIKey is MXLGXVRWHBQAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20.C6H6.CH4/c1-16-12-14-19(15-13-16)21-11-7-6-10-20(21)17(2)18-8-4-3-5-9-18;1-2-4-6-5-3-1;/h3-15,17H,1-2H3;1-6H;1H4.
What are the key properties of benzene;methane;1-methyl-4-[2-(1-phenylethyl)phenyl]benzene?
benzene;methane;1-methyl-4-[2-(1-phenylethyl)phenyl]benzene has a molecular weight of 366.55 g/mol, XLogP of 8.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;methane;1-methyl-4-[2-(1-phenylethyl)phenyl]benzene is sourced from PubChem (CID 143650226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).