1-iodo-4-[4-(2-prop-2-enoxyethyl)phenyl]benzene

C17H17IO — CID 70521274

IUPAC1-iodo-4-[4-(2-prop-2-enoxyethyl)phenyl]benzene
SMILESC=CCOCCc1ccc(-c2ccc(I)cc2)cc1
InChIInChI=1S/C17H17IO/c1-2-12-19-13-11-14-3-5-15(6-4-14)16-7-9-17(18)10-8-16/h2-10H,1,11-13H2
InChIKeyQFKFLMFBXSGHSU-UHFFFAOYSA-N
MW364.23 g/mol
LogP4.70
Rot. Bonds6

About 1-iodo-4-[4-(2-prop-2-enoxyethyl)phenyl]benzene

1-iodo-4-[4-(2-prop-2-enoxyethyl)phenyl]benzene (PubChem CID 70521274) has the molecular formula C17H17IO and a molecular weight of 364.23 g/mol. Its IUPAC name is 1-iodo-4-[4-(2-prop-2-enoxyethyl)phenyl]benzene.

Molecular Properties

Compound Name1-iodo-4-[4-(2-prop-2-enoxyethyl)phenyl]benzene
PubChem CID70521274
Molecular FormulaC17H17IO
Molecular Weight364.23 g/mol
Exact Mass364.03
IUPAC Name1-iodo-4-[4-(2-prop-2-enoxyethyl)phenyl]benzene
SMILESC=CCOCCc1ccc(-c2ccc(I)cc2)cc1
InChIInChI=1S/C17H17IO/c1-2-12-19-13-11-14-3-5-15(6-4-14)16-7-9-17(18)10-8-16/h2-10H,1,11-13H2
InChIKeyQFKFLMFBXSGHSU-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethenoxyethyl)-4-[4-(2-ethenoxyethyl)phenyl]benzene
CID 22082114
1-phenoxy-4-[3-[4-(2-prop-2-enoxyethyl)phenoxy]phenoxy]benzene
CID 134504728
1-iodo-4-[4-[4-(4-iodophenyl)butoxy]butyl]benzene
CID 141318682
1-butyl-4-[4-(prop-2-enoxymethyl)phenyl]benzene
CID 67893959
(2R)-1-chloro-3-[4-(2-prop-2-enoxyethyl)phenoxy]propan-2-ol
CID 58583048
2-[4-[4-(2-prop-2-enoyloxyethyl)phenyl]phenyl]ethyl prop-2-enoate
CID 58556788
1-ethenyl-4-[2-(2-iodoethoxy)ethyl]benzene
CID 155076269
prop-2-enyl 2-(4-iodophenyl)acetate
CID 175438229
1-iodo-4-[2-(4-methylphenyl)ethyl]benzene
CID 118487182
1-(2-prop-2-enoxyethoxy)-4-[[4-(2-prop-2-enoxyethoxy)phenyl]methyl]benzene
CID 22082109
1-(2-ethoxyethyl)-4-phenylbenzene
CID 70520458
3-[2-(4-phenylphenyl)ethoxymethyl]pent-4-en-1-ol
CID 141015798

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-[4-(2-prop-2-enoxyethyl)phenyl]benzene?
The IUPAC name of 1-iodo-4-[4-(2-prop-2-enoxyethyl)phenyl]benzene (CID 70521274) is 1-iodo-4-[4-(2-prop-2-enoxyethyl)phenyl]benzene.
What is the SMILES notation for 1-iodo-4-[4-(2-prop-2-enoxyethyl)phenyl]benzene?
The canonical SMILES for 1-iodo-4-[4-(2-prop-2-enoxyethyl)phenyl]benzene is C=CCOCCc1ccc(-c2ccc(I)cc2)cc1.
What is the InChIKey of 1-iodo-4-[4-(2-prop-2-enoxyethyl)phenyl]benzene?
The InChIKey is QFKFLMFBXSGHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IO/c1-2-12-19-13-11-14-3-5-15(6-4-14)16-7-9-17(18)10-8-16/h2-10H,1,11-13H2.
What are the key properties of 1-iodo-4-[4-(2-prop-2-enoxyethyl)phenyl]benzene?
1-iodo-4-[4-(2-prop-2-enoxyethyl)phenyl]benzene has a molecular weight of 364.23 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-[4-(2-prop-2-enoxyethyl)phenyl]benzene is sourced from PubChem (CID 70521274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).