1-(2-methylpropyl)-4-(2-phenylethyl)benzene

C18H22 — CID 56625667

IUPAC1-(2-methylpropyl)-4-(2-phenylethyl)benzene
SMILESCC(C)Cc1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C18H22/c1-15(2)14-18-12-10-17(11-13-18)9-8-16-6-4-3-5-7-16/h3-7,10-13,15H,8-9,14H2,1-2H3
InChIKeyILUORORGZLKEHA-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.67
Rot. Bonds5

About 1-(2-methylpropyl)-4-(2-phenylethyl)benzene

1-(2-methylpropyl)-4-(2-phenylethyl)benzene (PubChem CID 56625667) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-(2-phenylethyl)benzene.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-(2-phenylethyl)benzene
PubChem CID56625667
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1-(2-methylpropyl)-4-(2-phenylethyl)benzene
SMILESCC(C)Cc1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C18H22/c1-15(2)14-18-12-10-17(11-13-18)9-8-16-6-4-3-5-7-16/h3-7,10-13,15H,8-9,14H2,1-2H3
InChIKeyILUORORGZLKEHA-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;2-methylpropylbenzene
CID 162200929
1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 145233135
N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine
CID 79017859
formic acid;2-methylpropylbenzene
CID 162001374
methane;2-methylpropylbenzene;pentane
CID 162015938
N-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
CID 43480559
(2S)-2-methyl-3-[4-(2-phenylethyl)phenyl]propanal
CID 167484075
1-deuterio-2-(2-methylpropyl)benzene
CID 18666415
ethane;methane;2-methylbutane;tris(2-phenylethylbenzene)
CID 159124725
bis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene)
CID 162250352
benzene;2-phenylethylbenzene
CID 18982764
1-(3-methylbutyl)-3-(2-methylpropyl)benzene;1-(3-methylbutyl)-4-(2-methylpropyl)benzene
CID 158814859

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-(2-phenylethyl)benzene?
The IUPAC name of 1-(2-methylpropyl)-4-(2-phenylethyl)benzene (CID 56625667) is 1-(2-methylpropyl)-4-(2-phenylethyl)benzene.
What is the SMILES notation for 1-(2-methylpropyl)-4-(2-phenylethyl)benzene?
The canonical SMILES for 1-(2-methylpropyl)-4-(2-phenylethyl)benzene is CC(C)Cc1ccc(CCc2ccccc2)cc1.
What is the InChIKey of 1-(2-methylpropyl)-4-(2-phenylethyl)benzene?
The InChIKey is ILUORORGZLKEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-15(2)14-18-12-10-17(11-13-18)9-8-16-6-4-3-5-7-16/h3-7,10-13,15H,8-9,14H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-4-(2-phenylethyl)benzene?
1-(2-methylpropyl)-4-(2-phenylethyl)benzene has a molecular weight of 238.37 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-(2-phenylethyl)benzene is sourced from PubChem (CID 56625667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).