4-[2-[3-(3-ethylphenyl)phenyl]ethyl]-1,2-dimethylbenzene;propane

C27H34 — CID 142939514

IUPAC4-[2-[3-(3-ethylphenyl)phenyl]ethyl]-1,2-dimethylbenzene;propane
SMILESCCC.CCc1cccc(-c2cccc(CCc3ccc(C)c(C)c3)c2)c1
InChIInChI=1S/C24H26.C3H8/c1-4-20-7-5-9-23(16-20)24-10-6-8-21(17-24)13-14-22-12-11-18(2)19(3)15-22;1-3-2/h5-12,15-17H,4,13-14H2,1-3H3;3H2,1-2H3
InChIKeyCCNKMWGXMQUOEG-UHFFFAOYSA-N
MW358.57 g/mol
LogP7.73
Rot. Bonds5

About 4-[2-[3-(3-ethylphenyl)phenyl]ethyl]-1,2-dimethylbenzene;propane

4-[2-[3-(3-ethylphenyl)phenyl]ethyl]-1,2-dimethylbenzene;propane (PubChem CID 142939514) has the molecular formula C27H34 and a molecular weight of 358.57 g/mol. Its IUPAC name is 4-[2-[3-(3-ethylphenyl)phenyl]ethyl]-1,2-dimethylbenzene;propane.

Molecular Properties

Compound Name4-[2-[3-(3-ethylphenyl)phenyl]ethyl]-1,2-dimethylbenzene;propane
PubChem CID142939514
Molecular FormulaC27H34
Molecular Weight358.57 g/mol
Exact Mass358.27
IUPAC Name4-[2-[3-(3-ethylphenyl)phenyl]ethyl]-1,2-dimethylbenzene;propane
SMILESCCC.CCc1cccc(-c2cccc(CCc3ccc(C)c(C)c3)c2)c1
InChIInChI=1S/C24H26.C3H8/c1-4-20-7-5-9-23(16-20)24-10-6-8-21(17-24)13-14-22-12-11-18(2)19(3)15-22;1-3-2/h5-12,15-17H,4,13-14H2,1-3H3;3H2,1-2H3
InChIKeyCCNKMWGXMQUOEG-UHFFFAOYSA-N
XLogP7.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-3-phenylbenzene;propane
CID 145466525
4-(3-ethylphenyl)-1-methyl-2-propylbenzene
CID 145461377
4-ethyl-1,2-dimethylbenzene;1,4-xylene
CID 142969887
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
1-ethyl-3-[4-(iodomethyl)phenyl]benzene
CID 138533012
1,2-dimethyl-4-(6-phenylhexyl)benzene
CID 123294821
4-(3-ethylphenyl)-2-methylbenzaldehyde
CID 174256468
4-ethyl-1-methyl-2-(3-methylphenyl)benzene
CID 91311090
1-[3-(3,4-dimethylphenyl)phenyl]-N-methylmethanamine
CID 61034041
4-(3-ethylphenyl)-1,2-dimethoxybenzene
CID 67818138
1-phenyl-3-propylbenzene
CID 4110465
1-ethyl-3-(2-phenylethyl)benzene;molecular hydrogen
CID 142077285

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(3-ethylphenyl)phenyl]ethyl]-1,2-dimethylbenzene;propane?
The IUPAC name of 4-[2-[3-(3-ethylphenyl)phenyl]ethyl]-1,2-dimethylbenzene;propane (CID 142939514) is 4-[2-[3-(3-ethylphenyl)phenyl]ethyl]-1,2-dimethylbenzene;propane.
What is the SMILES notation for 4-[2-[3-(3-ethylphenyl)phenyl]ethyl]-1,2-dimethylbenzene;propane?
The canonical SMILES for 4-[2-[3-(3-ethylphenyl)phenyl]ethyl]-1,2-dimethylbenzene;propane is CCC.CCc1cccc(-c2cccc(CCc3ccc(C)c(C)c3)c2)c1.
What is the InChIKey of 4-[2-[3-(3-ethylphenyl)phenyl]ethyl]-1,2-dimethylbenzene;propane?
The InChIKey is CCNKMWGXMQUOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26.C3H8/c1-4-20-7-5-9-23(16-20)24-10-6-8-21(17-24)13-14-22-12-11-18(2)19(3)15-22;1-3-2/h5-12,15-17H,4,13-14H2,1-3H3;3H2,1-2H3.
What are the key properties of 4-[2-[3-(3-ethylphenyl)phenyl]ethyl]-1,2-dimethylbenzene;propane?
4-[2-[3-(3-ethylphenyl)phenyl]ethyl]-1,2-dimethylbenzene;propane has a molecular weight of 358.57 g/mol, XLogP of 7.73, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(3-ethylphenyl)phenyl]ethyl]-1,2-dimethylbenzene;propane is sourced from PubChem (CID 142939514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).