1-methyl-2-(2-phenylethyl)-4-propan-2-ylbenzene

C18H22 — CID 142112281

IUPAC1-methyl-2-(2-phenylethyl)-4-propan-2-ylbenzene
SMILESCc1ccc(C(C)C)cc1CCc1ccccc1
InChIInChI=1S/C18H22/c1-14(2)17-11-9-15(3)18(13-17)12-10-16-7-5-4-6-8-16/h4-9,11,13-14H,10,12H2,1-3H3
InChIKeyQLYXPOYHPUYBFR-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.90
Rot. Bonds4

About 1-methyl-2-(2-phenylethyl)-4-propan-2-ylbenzene

1-methyl-2-(2-phenylethyl)-4-propan-2-ylbenzene (PubChem CID 142112281) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-methyl-2-(2-phenylethyl)-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-methyl-2-(2-phenylethyl)-4-propan-2-ylbenzene
PubChem CID142112281
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1-methyl-2-(2-phenylethyl)-4-propan-2-ylbenzene
SMILESCc1ccc(C(C)C)cc1CCc1ccccc1
InChIInChI=1S/C18H22/c1-14(2)17-11-9-15(3)18(13-17)12-10-16-7-5-4-6-8-16/h4-9,11,13-14H,10,12H2,1-3H3
InChIKeyQLYXPOYHPUYBFR-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[4-methyl-3-(2-phenylethyl)phenyl]methanamine
CID 134425806
4-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 96657410
2-[(2-methyl-5-propan-2-ylphenyl)methylsulfanyl]pyridine
CID 21406924
(2-methyl-5-propan-2-ylphenyl)methanethiol
CID 21131530
N-methyl-N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]propan-2-amine
CID 117044196
N-ethyl-N'-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]ethane-1,2-diamine
CID 115206022
1,4-di(propan-2-yl)benzene;propylbenzene
CID 174543060
3-[2-(2-methyl-5-propan-2-ylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163540
[methyl-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]amino]methanethiol
CID 115228441
2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine
CID 116868516
2-(2-methyl-5-propan-2-ylphenyl)acetaldehyde
CID 87494149
N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-2-amine
CID 117044047

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-phenylethyl)-4-propan-2-ylbenzene?
The IUPAC name of 1-methyl-2-(2-phenylethyl)-4-propan-2-ylbenzene (CID 142112281) is 1-methyl-2-(2-phenylethyl)-4-propan-2-ylbenzene.
What is the SMILES notation for 1-methyl-2-(2-phenylethyl)-4-propan-2-ylbenzene?
The canonical SMILES for 1-methyl-2-(2-phenylethyl)-4-propan-2-ylbenzene is Cc1ccc(C(C)C)cc1CCc1ccccc1.
What is the InChIKey of 1-methyl-2-(2-phenylethyl)-4-propan-2-ylbenzene?
The InChIKey is QLYXPOYHPUYBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-14(2)17-11-9-15(3)18(13-17)12-10-16-7-5-4-6-8-16/h4-9,11,13-14H,10,12H2,1-3H3.
What are the key properties of 1-methyl-2-(2-phenylethyl)-4-propan-2-ylbenzene?
1-methyl-2-(2-phenylethyl)-4-propan-2-ylbenzene has a molecular weight of 238.37 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-phenylethyl)-4-propan-2-ylbenzene is sourced from PubChem (CID 142112281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).