1,3-dimethyl-2-[1-[2-(1-phenylethyl)phenyl]ethyl]benzene

C24H26 — CID 3024109

IUPAC1,3-dimethyl-2-[1-[2-(1-phenylethyl)phenyl]ethyl]benzene
SMILESCc1cccc(C)c1C(C)c1ccccc1C(C)c1ccccc1
InChIInChI=1S/C24H26/c1-17-11-10-12-18(2)24(17)20(4)23-16-9-8-15-22(23)19(3)21-13-6-5-7-14-21/h5-16,19-20H,1-4H3
InChIKeyYMCLEEKGMXFGLP-UHFFFAOYSA-N
MW314.47 g/mol
LogP6.61
Rot. Bonds4

About 1,3-dimethyl-2-[1-[2-(1-phenylethyl)phenyl]ethyl]benzene

1,3-dimethyl-2-[1-[2-(1-phenylethyl)phenyl]ethyl]benzene (PubChem CID 3024109) has the molecular formula C24H26 and a molecular weight of 314.47 g/mol. Its IUPAC name is 1,3-dimethyl-2-[1-[2-(1-phenylethyl)phenyl]ethyl]benzene.

Molecular Properties

Compound Name1,3-dimethyl-2-[1-[2-(1-phenylethyl)phenyl]ethyl]benzene
PubChem CID3024109
Molecular FormulaC24H26
Molecular Weight314.47 g/mol
Exact Mass314.20
IUPAC Name1,3-dimethyl-2-[1-[2-(1-phenylethyl)phenyl]ethyl]benzene
SMILESCc1cccc(C)c1C(C)c1ccccc1C(C)c1ccccc1
InChIInChI=1S/C24H26/c1-17-11-10-12-18(2)24(17)20(4)23-16-9-8-15-22(23)19(3)21-13-6-5-7-14-21/h5-16,19-20H,1-4H3
InChIKeyYMCLEEKGMXFGLP-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-(1-phenylethyl)-2-propan-2-ylbenzene
CID 18968375
2-methyl-1,3-bis(1-phenylethyl)benzene
CID 58862393
2-methyl-6-(1-phenylethyl)benzoic acid
CID 172685979
2-[1-(2-hydroxyphenyl)ethyl]-3-methylphenol
CID 66812750
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene
CID 142851428
1-bromo-4-[1-(2-methylphenyl)ethyl]benzene
CID 71518832
1-phenylethylbenzene;stibane
CID 174965918
ethane;1-phenylethylbenzene
CID 164998811
1,2,3,4,5-pentamethyl-6-(1-phenylethyl)benzene
CID 54426646
1,2-dimethyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 134982830
1-(1-phenylethyl)-2-[2-(1-phenylethyl)phenoxy]benzene
CID 69309160

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-[1-[2-(1-phenylethyl)phenyl]ethyl]benzene?
The IUPAC name of 1,3-dimethyl-2-[1-[2-(1-phenylethyl)phenyl]ethyl]benzene (CID 3024109) is 1,3-dimethyl-2-[1-[2-(1-phenylethyl)phenyl]ethyl]benzene.
What is the SMILES notation for 1,3-dimethyl-2-[1-[2-(1-phenylethyl)phenyl]ethyl]benzene?
The canonical SMILES for 1,3-dimethyl-2-[1-[2-(1-phenylethyl)phenyl]ethyl]benzene is Cc1cccc(C)c1C(C)c1ccccc1C(C)c1ccccc1.
What is the InChIKey of 1,3-dimethyl-2-[1-[2-(1-phenylethyl)phenyl]ethyl]benzene?
The InChIKey is YMCLEEKGMXFGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26/c1-17-11-10-12-18(2)24(17)20(4)23-16-9-8-15-22(23)19(3)21-13-6-5-7-14-21/h5-16,19-20H,1-4H3.
What are the key properties of 1,3-dimethyl-2-[1-[2-(1-phenylethyl)phenyl]ethyl]benzene?
1,3-dimethyl-2-[1-[2-(1-phenylethyl)phenyl]ethyl]benzene has a molecular weight of 314.47 g/mol, XLogP of 6.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-[1-[2-(1-phenylethyl)phenyl]ethyl]benzene is sourced from PubChem (CID 3024109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).