1-methyl-3-[1-[4-(2-phenylethyl)phenyl]ethyl]benzene

C23H24 — CID 173470355

IUPAC1-methyl-3-[1-[4-(2-phenylethyl)phenyl]ethyl]benzene
SMILESCc1cccc(C(C)c2ccc(CCc3ccccc3)cc2)c1
InChIInChI=1S/C23H24/c1-18-7-6-10-23(17-18)19(2)22-15-13-21(14-16-22)12-11-20-8-4-3-5-9-20/h3-10,13-17,19H,11-12H2,1-2H3
InChIKeyYGZONSWCVLFSPD-UHFFFAOYSA-N
MW300.45 g/mol
LogP5.93
Rot. Bonds5

About 1-methyl-3-[1-[4-(2-phenylethyl)phenyl]ethyl]benzene

1-methyl-3-[1-[4-(2-phenylethyl)phenyl]ethyl]benzene (PubChem CID 173470355) has the molecular formula C23H24 and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-methyl-3-[1-[4-(2-phenylethyl)phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[1-[4-(2-phenylethyl)phenyl]ethyl]benzene
PubChem CID173470355
Molecular FormulaC23H24
Molecular Weight300.45 g/mol
Exact Mass300.19
IUPAC Name1-methyl-3-[1-[4-(2-phenylethyl)phenyl]ethyl]benzene
SMILESCc1cccc(C(C)c2ccc(CCc3ccccc3)cc2)c1
InChIInChI=1S/C23H24/c1-18-7-6-10-23(17-18)19(2)22-15-13-21(14-16-22)12-11-20-8-4-3-5-9-20/h3-10,13-17,19H,11-12H2,1-2H3
InChIKeyYGZONSWCVLFSPD-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.45
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine
CID 81364217
N-[(1S)-1-(3-methylphenyl)ethyl]-3-phenylpropan-1-amine
CID 81363177
1-methyl-3-(3-phenylbutyl)benzene
CID 173297999
1-butyl-3-(1-phenylethyl)benzene
CID 141315490
N-methyl-1-(3-methylphenyl)-3-phenylpropan-1-amine
CID 60818529
N-[(1S)-1-(3-methylphenyl)ethyl]-4-phenylbutan-1-amine
CID 104893840
2-(3-methylphenyl)-4-phenylbutanoic acid
CID 79436887
1-[3,4-dimethyl-6-(3-methylphenyl)hexyl]-4-methylbenzene
CID 155693186
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
1-butan-2-yl-4-[3-(3-methylphenyl)propyl]benzene
CID 123139231
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-[4-(2-phenylethyl)phenyl]ethyl]benzene?
The IUPAC name of 1-methyl-3-[1-[4-(2-phenylethyl)phenyl]ethyl]benzene (CID 173470355) is 1-methyl-3-[1-[4-(2-phenylethyl)phenyl]ethyl]benzene.
What is the SMILES notation for 1-methyl-3-[1-[4-(2-phenylethyl)phenyl]ethyl]benzene?
The canonical SMILES for 1-methyl-3-[1-[4-(2-phenylethyl)phenyl]ethyl]benzene is Cc1cccc(C(C)c2ccc(CCc3ccccc3)cc2)c1.
What is the InChIKey of 1-methyl-3-[1-[4-(2-phenylethyl)phenyl]ethyl]benzene?
The InChIKey is YGZONSWCVLFSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24/c1-18-7-6-10-23(17-18)19(2)22-15-13-21(14-16-22)12-11-20-8-4-3-5-9-20/h3-10,13-17,19H,11-12H2,1-2H3.
What are the key properties of 1-methyl-3-[1-[4-(2-phenylethyl)phenyl]ethyl]benzene?
1-methyl-3-[1-[4-(2-phenylethyl)phenyl]ethyl]benzene has a molecular weight of 300.45 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-[4-(2-phenylethyl)phenyl]ethyl]benzene is sourced from PubChem (CID 173470355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).