1-ethyl-2-[1-(2-methylphenyl)propyl]benzene

C18H22 — CID 18968346

IUPAC1-ethyl-2-[1-(2-methylphenyl)propyl]benzene
SMILESCCc1ccccc1C(CC)c1ccccc1C
InChIInChI=1S/C18H22/c1-4-15-11-7-9-13-18(15)16(5-2)17-12-8-6-10-14(17)3/h6-13,16H,4-5H2,1-3H3
InChIKeyTYWAQGOBKSMMBI-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.10
Rot. Bonds4

About 1-ethyl-2-[1-(2-methylphenyl)propyl]benzene

1-ethyl-2-[1-(2-methylphenyl)propyl]benzene (PubChem CID 18968346) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-ethyl-2-[1-(2-methylphenyl)propyl]benzene.

Molecular Properties

Compound Name1-ethyl-2-[1-(2-methylphenyl)propyl]benzene
PubChem CID18968346
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1-ethyl-2-[1-(2-methylphenyl)propyl]benzene
SMILESCCc1ccccc1C(CC)c1ccccc1C
InChIInChI=1S/C18H22/c1-4-15-11-7-9-13-18(15)16(5-2)17-12-8-6-10-14(17)3/h6-13,16H,4-5H2,1-3H3
InChIKeyTYWAQGOBKSMMBI-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-ethyl-2-[1-(2-methylphenyl)propyl]benzene 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;1,2-diethylbenzene;1,2-xylene
CID 174742983
ethane;1-ethyl-2-hexan-3-ylbenzene
CID 165145601
CID 88514856
CID 88514856
2-[(2-ethylphenyl)-(2-methylphenyl)methoxy]ethanol
CID 12025454
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
acetic acid;1-ethyl-2-methylbenzene
CID 67948051
1-ethyl-2-methylbenzene;propane;toluene
CID 159725880
ethyl 2-(2-ethylphenyl)propanoate
CID 105459112
1-[(R)-chloro(phenyl)methyl]-2-ethylbenzene
CID 124596651
carbanide;ethane;1-ethyl-2-methylbenzene;yttrium
CID 165046421
amino (2S)-2-(2-methylphenyl)butanoate
CID 46912072
(4R)-4-(2-methylphenyl)hexanal
CID 102442403

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[1-(2-methylphenyl)propyl]benzene?
The IUPAC name of 1-ethyl-2-[1-(2-methylphenyl)propyl]benzene (CID 18968346) is 1-ethyl-2-[1-(2-methylphenyl)propyl]benzene.
What is the SMILES notation for 1-ethyl-2-[1-(2-methylphenyl)propyl]benzene?
The canonical SMILES for 1-ethyl-2-[1-(2-methylphenyl)propyl]benzene is CCc1ccccc1C(CC)c1ccccc1C.
What is the InChIKey of 1-ethyl-2-[1-(2-methylphenyl)propyl]benzene?
The InChIKey is TYWAQGOBKSMMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-4-15-11-7-9-13-18(15)16(5-2)17-12-8-6-10-14(17)3/h6-13,16H,4-5H2,1-3H3.
What are the key properties of 1-ethyl-2-[1-(2-methylphenyl)propyl]benzene?
1-ethyl-2-[1-(2-methylphenyl)propyl]benzene has a molecular weight of 238.37 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[1-(2-methylphenyl)propyl]benzene is sourced from PubChem (CID 18968346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).