2-(4-ethylphenyl)-1-iodo-4-(2-methylpropyl)benzene

C18H21I — CID 170694578

IUPAC2-(4-ethylphenyl)-1-iodo-4-(2-methylpropyl)benzene
SMILESCCc1ccc(-c2cc(CC(C)C)ccc2I)cc1
InChIInChI=1S/C18H21I/c1-4-14-5-8-16(9-6-14)17-12-15(11-13(2)3)7-10-18(17)19/h5-10,12-13H,4,11H2,1-3H3
InChIKeyRWVLOHSNYVQHAX-UHFFFAOYSA-N
MW364.27 g/mol
LogP5.72
Rot. Bonds4

About 2-(4-ethylphenyl)-1-iodo-4-(2-methylpropyl)benzene

2-(4-ethylphenyl)-1-iodo-4-(2-methylpropyl)benzene (PubChem CID 170694578) has the molecular formula C18H21I and a molecular weight of 364.27 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-iodo-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-iodo-4-(2-methylpropyl)benzene
PubChem CID170694578
Molecular FormulaC18H21I
Molecular Weight364.27 g/mol
Exact Mass364.07
IUPAC Name2-(4-ethylphenyl)-1-iodo-4-(2-methylpropyl)benzene
SMILESCCc1ccc(-c2cc(CC(C)C)ccc2I)cc1
InChIInChI=1S/C18H21I/c1-4-14-5-8-16(9-6-14)17-12-15(11-13(2)3)7-10-18(17)19/h5-10,12-13H,4,11H2,1-3H3
InChIKeyRWVLOHSNYVQHAX-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.27
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-(2-methylpropyl)benzene;methane;propane
CID 154659572
2-iodo-1-methoxy-4-(2-methylpropyl)benzene
CID 153170033
2-ethyl-4-(2-methylpropyl)pyridine
CID 90794113
ethane;1-ethyl-3-(2-methylpropyl)benzene;molecular hydrogen
CID 142978471
1-[bromo-(4-ethylphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63435881
(4-ethylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43109928
N-[4-[2-[2-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-4-(2-methylpropyl)phenyl]phenyl]-4-ethyl-N-(4-ethylphenyl)aniline
CID 91340095
1-iodo-3-(2-methylpropyl)benzene
CID 18417600
2,4-diethyl-1-(4-ethylphenyl)benzene
CID 102240206
4,6,7-trimethyl-3-[4-(2-methylpropyl)phenyl]-1-benzofuran
CID 141105037
[4-methoxy-3-[4-(2-methylpropyl)phenyl]phenyl]methanamine
CID 172652225
4-iodo-5-[4-(2-methylpropyl)phenyl]-1H-pyrazole
CID 63735353

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-iodo-4-(2-methylpropyl)benzene?
The IUPAC name of 2-(4-ethylphenyl)-1-iodo-4-(2-methylpropyl)benzene (CID 170694578) is 2-(4-ethylphenyl)-1-iodo-4-(2-methylpropyl)benzene.
What is the SMILES notation for 2-(4-ethylphenyl)-1-iodo-4-(2-methylpropyl)benzene?
The canonical SMILES for 2-(4-ethylphenyl)-1-iodo-4-(2-methylpropyl)benzene is CCc1ccc(-c2cc(CC(C)C)ccc2I)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-iodo-4-(2-methylpropyl)benzene?
The InChIKey is RWVLOHSNYVQHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21I/c1-4-14-5-8-16(9-6-14)17-12-15(11-13(2)3)7-10-18(17)19/h5-10,12-13H,4,11H2,1-3H3.
What are the key properties of 2-(4-ethylphenyl)-1-iodo-4-(2-methylpropyl)benzene?
2-(4-ethylphenyl)-1-iodo-4-(2-methylpropyl)benzene has a molecular weight of 364.27 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-iodo-4-(2-methylpropyl)benzene is sourced from PubChem (CID 170694578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).