4-(3-ethylphenyl)-1-methyl-2-propylbenzene

C18H22 — CID 145461377

IUPAC4-(3-ethylphenyl)-1-methyl-2-propylbenzene
SMILESCCCc1cc(-c2cccc(CC)c2)ccc1C
InChIInChI=1S/C18H22/c1-4-7-16-13-18(11-10-14(16)3)17-9-6-8-15(5-2)12-17/h6,8-13H,4-5,7H2,1-3H3
InChIKeyWBMACKWRMLWALA-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.18
Rot. Bonds4

About 4-(3-ethylphenyl)-1-methyl-2-propylbenzene

4-(3-ethylphenyl)-1-methyl-2-propylbenzene (PubChem CID 145461377) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-(3-ethylphenyl)-1-methyl-2-propylbenzene.

Molecular Properties

Compound Name4-(3-ethylphenyl)-1-methyl-2-propylbenzene
PubChem CID145461377
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name4-(3-ethylphenyl)-1-methyl-2-propylbenzene
SMILESCCCc1cc(-c2cccc(CC)c2)ccc1C
InChIInChI=1S/C18H22/c1-4-7-16-13-18(11-10-14(16)3)17-9-6-8-15(5-2)12-17/h6,8-13H,4-5,7H2,1-3H3
InChIKeyWBMACKWRMLWALA-UHFFFAOYSA-N
XLogP5.18
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 ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[2-[3-(3-ethylphenyl)phenyl]ethyl]-1,2-dimethylbenzene;propane
CID 142939514
2-ethyl-1-methyl-4-(4-propylphenyl)benzene
CID 123879424
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
1-ethyl-3-[4-(iodomethyl)phenyl]benzene
CID 138533012
1-ethyl-3-phenylbenzene;propane
CID 145466525
4-(3-ethylphenyl)-2-methylbenzaldehyde
CID 174256468
1-phenyl-3-propylbenzene
CID 4110465
1-(3-bromophenyl)-4-(3-ethylphenyl)benzene
CID 143388635
1-ethyl-4-(4-ethylphenyl)-2-propylbenzene
CID 143540689
2-[5-(3-ethylphenyl)-2-methoxyphenyl]ethanol
CID 142190980
2-(2-methyl-5-phenylphenyl)ethanamine
CID 115027519
4-ethyl-2-hexyl-1-methylbenzene
CID 54443410

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenyl)-1-methyl-2-propylbenzene?
The IUPAC name of 4-(3-ethylphenyl)-1-methyl-2-propylbenzene (CID 145461377) is 4-(3-ethylphenyl)-1-methyl-2-propylbenzene.
What is the SMILES notation for 4-(3-ethylphenyl)-1-methyl-2-propylbenzene?
The canonical SMILES for 4-(3-ethylphenyl)-1-methyl-2-propylbenzene is CCCc1cc(-c2cccc(CC)c2)ccc1C.
What is the InChIKey of 4-(3-ethylphenyl)-1-methyl-2-propylbenzene?
The InChIKey is WBMACKWRMLWALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-4-7-16-13-18(11-10-14(16)3)17-9-6-8-15(5-2)12-17/h6,8-13H,4-5,7H2,1-3H3.
What are the key properties of 4-(3-ethylphenyl)-1-methyl-2-propylbenzene?
4-(3-ethylphenyl)-1-methyl-2-propylbenzene has a molecular weight of 238.37 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenyl)-1-methyl-2-propylbenzene is sourced from PubChem (CID 145461377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).