1-ethyl-3-[4-(iodomethyl)phenyl]benzene

C15H15I — CID 138533012

IUPAC1-ethyl-3-[4-(iodomethyl)phenyl]benzene
SMILESCCc1cccc(-c2ccc(CI)cc2)c1
InChIInChI=1S/C15H15I/c1-2-12-4-3-5-15(10-12)14-8-6-13(11-16)7-9-14/h3-10H,2,11H2,1H3
InChIKeyVOIZSFHBMUFHHA-UHFFFAOYSA-N
MW322.19 g/mol
LogP4.85
Rot. Bonds3

About 1-ethyl-3-[4-(iodomethyl)phenyl]benzene

1-ethyl-3-[4-(iodomethyl)phenyl]benzene (PubChem CID 138533012) has the molecular formula C15H15I and a molecular weight of 322.19 g/mol. Its IUPAC name is 1-ethyl-3-[4-(iodomethyl)phenyl]benzene.

Molecular Properties

Compound Name1-ethyl-3-[4-(iodomethyl)phenyl]benzene
PubChem CID138533012
Molecular FormulaC15H15I
Molecular Weight322.19 g/mol
Exact Mass322.02
IUPAC Name1-ethyl-3-[4-(iodomethyl)phenyl]benzene
SMILESCCc1cccc(-c2ccc(CI)cc2)c1
InChIInChI=1S/C15H15I/c1-2-12-4-3-5-15(10-12)14-8-6-13(11-16)7-9-14/h3-10H,2,11H2,1H3
InChIKeyVOIZSFHBMUFHHA-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-phenylbenzene;propane
CID 145466525
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
1-(3-bromophenyl)-4-(3-ethylphenyl)benzene
CID 143388635
1-ethyl-4-(3-methylphenyl)benzene
CID 12641077
2-[3-(4-ethylphenyl)phenyl]acetic acid
CID 1393629
4-(3-ethylphenyl)-1-methyl-2-propylbenzene
CID 145461377
4-(3-ethylphenyl)benzamide
CID 54454087
4-(3-ethylphenyl)-1,2-dimethoxybenzene
CID 67818138
CID 143725407
CID 143725407
1-buta-1,3-diynyl-4-(3-ethylphenyl)benzene
CID 139636229
1,4-diethyl-2-(3-ethylphenyl)benzene
CID 102240202
2-chloro-4-(3-ethylphenyl)aniline
CID 107607723

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-(iodomethyl)phenyl]benzene?
The IUPAC name of 1-ethyl-3-[4-(iodomethyl)phenyl]benzene (CID 138533012) is 1-ethyl-3-[4-(iodomethyl)phenyl]benzene.
What is the SMILES notation for 1-ethyl-3-[4-(iodomethyl)phenyl]benzene?
The canonical SMILES for 1-ethyl-3-[4-(iodomethyl)phenyl]benzene is CCc1cccc(-c2ccc(CI)cc2)c1.
What is the InChIKey of 1-ethyl-3-[4-(iodomethyl)phenyl]benzene?
The InChIKey is VOIZSFHBMUFHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15I/c1-2-12-4-3-5-15(10-12)14-8-6-13(11-16)7-9-14/h3-10H,2,11H2,1H3.
What are the key properties of 1-ethyl-3-[4-(iodomethyl)phenyl]benzene?
1-ethyl-3-[4-(iodomethyl)phenyl]benzene has a molecular weight of 322.19 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(iodomethyl)phenyl]benzene is sourced from PubChem (CID 138533012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).