1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene

C32H36 — CID 173107098

IUPAC1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene
SMILESCc1cc(C)cc(CCc2cc(C)cc(C)c2)c1.c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C18H22.C14H14/c1-13-7-14(2)10-17(9-13)5-6-18-11-15(3)8-16(4)12-18;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h7-12H,5-6H2,1-4H3;1-10H,11-12H2
InChIKeyXQROUGBXHLAMPL-UHFFFAOYSA-N
MW420.64 g/mol
LogP8.18
Rot. Bonds6

About 1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene

1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene (PubChem CID 173107098) has the molecular formula C32H36 and a molecular weight of 420.64 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene.

Molecular Properties

Compound Name1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene
PubChem CID173107098
Molecular FormulaC32H36
Molecular Weight420.64 g/mol
Exact Mass420.28
IUPAC Name1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene
SMILESCc1cc(C)cc(CCc2cc(C)cc(C)c2)c1.c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C18H22.C14H14/c1-13-7-14(2)10-17(9-13)5-6-18-11-15(3)8-16(4)12-18;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h7-12H,5-6H2,1-4H3;1-10H,11-12H2
InChIKeyXQROUGBXHLAMPL-UHFFFAOYSA-N
XLogP8.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.64
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene;2-phenylethylbenzene
CID 18982764
ethane;methane;2-phenylethylbenzene
CID 158652330
2,4-dimethyl-1-(2-phenylethyl)benzene;gold
CID 173364905
hafnium;2-phenylethylbenzene
CID 173109801
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
1,2,3,4,5-pentakis[2-(3,5-dimethylphenyl)ethyl]benzene
CID 123805979
1-[5-(3,5-dimethylphenyl)pentyl]-3,5-dimethylbenzene
CID 22920116
benzene;propylbenzene;toluene
CID 142060228
1,3-difluoro-5-(2-phenylethyl)benzene
CID 90780533
8-ethyl-1,3-dimethylcyclotetradeca-1,3,5,7,9,11,13-heptaene
CID 91350329
N-benzyl-N-[[3-[[[3-[[bis[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-methylphenyl]methyl-[[3,5-bis[(dibenzylamino)methyl]phenyl]methyl]amino]methyl]-5-[(dibenzylamino)methyl]phenyl]methyl]-1-phenylmethanamine
CID 89334206
1,2,4,5-tetramethyl-3-(2-phenylethyl)benzene
CID 590366

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene?
The IUPAC name of 1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene (CID 173107098) is 1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene.
What is the SMILES notation for 1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene?
The canonical SMILES for 1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene is Cc1cc(C)cc(CCc2cc(C)cc(C)c2)c1.c1ccc(CCc2ccccc2)cc1.
What is the InChIKey of 1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene?
The InChIKey is XQROUGBXHLAMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22.C14H14/c1-13-7-14(2)10-17(9-13)5-6-18-11-15(3)8-16(4)12-18;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h7-12H,5-6H2,1-4H3;1-10H,11-12H2.
What are the key properties of 1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene?
1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene has a molecular weight of 420.64 g/mol, XLogP of 8.18, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene is sourced from PubChem (CID 173107098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).