2-phenylethylbenzene;1-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene;toluene

C39H42 — CID 173264827

IUPAC2-phenylethylbenzene;1-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene;toluene
SMILESCC(c1ccccc1)C1CCCc2ccccc21.Cc1ccccc1.c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C18H20.C14H14.C7H8/c1-14(15-8-3-2-4-9-15)17-13-7-11-16-10-5-6-12-18(16)17;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-7-5-3-2-4-6-7/h2-6,8-10,12,14,17H,7,11,13H2,1H3;1-10H,11-12H2;2-6H,1H3
InChIKeyLEJOIPWUKHUGDI-UHFFFAOYSA-N
MW510.77 g/mol
LogP10.38
Rot. Bonds5

About 2-phenylethylbenzene;1-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene;toluene

2-phenylethylbenzene;1-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene;toluene (PubChem CID 173264827) has the molecular formula C39H42 and a molecular weight of 510.77 g/mol. Its IUPAC name is 2-phenylethylbenzene;1-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene;toluene.

Molecular Properties

Compound Name2-phenylethylbenzene;1-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene;toluene
PubChem CID173264827
Molecular FormulaC39H42
Molecular Weight510.77 g/mol
Exact Mass510.33
IUPAC Name2-phenylethylbenzene;1-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene;toluene
SMILESCC(c1ccccc1)C1CCCc2ccccc21.Cc1ccccc1.c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C18H20.C14H14.C7H8/c1-14(15-8-3-2-4-9-15)17-13-7-11-16-10-5-6-12-18(16)17;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-7-5-3-2-4-6-7/h2-6,8-10,12,14,17H,7,11,13H2,1H3;1-10H,11-12H2;2-6H,1H3
InChIKeyLEJOIPWUKHUGDI-UHFFFAOYSA-N
XLogP10.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.77
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-phenylethylbenzene;1-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene;toluene 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

N-methyl-3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine
CID 63251085
N-methyl-1-(4-methylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 62718728
2-(3-methylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 63247283
ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 144539733
1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63247593
N-ethyl-2-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine
CID 55175096
[(3,5-dimethylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]hydrazine
CID 105218933
(1R)-1-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 81347497
N-methyl-1-pyrimidin-5-yl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63250535
2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 140759820
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142
5-bromo-6-(3-phenylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63472788

Frequently Asked Questions

What is the IUPAC name of 2-phenylethylbenzene;1-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene;toluene?
The IUPAC name of 2-phenylethylbenzene;1-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene;toluene (CID 173264827) is 2-phenylethylbenzene;1-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene;toluene.
What is the SMILES notation for 2-phenylethylbenzene;1-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene;toluene?
The canonical SMILES for 2-phenylethylbenzene;1-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene;toluene is CC(c1ccccc1)C1CCCc2ccccc21.Cc1ccccc1.c1ccc(CCc2ccccc2)cc1.
What is the InChIKey of 2-phenylethylbenzene;1-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene;toluene?
The InChIKey is LEJOIPWUKHUGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20.C14H14.C7H8/c1-14(15-8-3-2-4-9-15)17-13-7-11-16-10-5-6-12-18(16)17;1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-7-5-3-2-4-6-7/h2-6,8-10,12,14,17H,7,11,13H2,1H3;1-10H,11-12H2;2-6H,1H3.
What are the key properties of 2-phenylethylbenzene;1-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene;toluene?
2-phenylethylbenzene;1-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene;toluene has a molecular weight of 510.77 g/mol, XLogP of 10.38, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethylbenzene;1-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalene;toluene is sourced from PubChem (CID 173264827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).