7-chloro-1-(4-iodophenyl)heptan-1-one

C13H16ClIO — CID 24723863

IUPAC7-chloro-1-(4-iodophenyl)heptan-1-one
SMILESO=C(CCCCCCCl)c1ccc(I)cc1
InChIInChI=1S/C13H16ClIO/c14-10-4-2-1-3-5-13(16)11-6-8-12(15)9-7-11/h6-9H,1-5,10H2
InChIKeyZTQCXFZWLQRNRY-UHFFFAOYSA-N
MW350.63 g/mol
LogP4.66
Rot. Bonds7

About 7-chloro-1-(4-iodophenyl)heptan-1-one

7-chloro-1-(4-iodophenyl)heptan-1-one (PubChem CID 24723863) has the molecular formula C13H16ClIO and a molecular weight of 350.63 g/mol. Its IUPAC name is 7-chloro-1-(4-iodophenyl)heptan-1-one.

Molecular Properties

Compound Name7-chloro-1-(4-iodophenyl)heptan-1-one
PubChem CID24723863
Molecular FormulaC13H16ClIO
Molecular Weight350.63 g/mol
Exact Mass349.99
IUPAC Name7-chloro-1-(4-iodophenyl)heptan-1-one
SMILESO=C(CCCCCCCl)c1ccc(I)cc1
InChIInChI=1S/C13H16ClIO/c14-10-4-2-1-3-5-13(16)11-6-8-12(15)9-7-11/h6-9H,1-5,10H2
InChIKeyZTQCXFZWLQRNRY-UHFFFAOYSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.63
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-1-(4-iodophenyl)hexan-1-one
CID 24723862
4-(7-chloroheptanoyl)benzonitrile
CID 24726786
amino 9-(4-iodophenyl)-9-oxononanoate
CID 174840232
8-(4-iodophenyl)-8-oxooctanenitrile
CID 24723848
1-(4-iodophenyl)-5-phenoxypentan-1-one
CID 86194293
7-chloro-1-(4-fluoro-3-methylphenyl)heptan-1-one
CID 24726762
1-(4-butylphenyl)-5-chloropentan-1-one
CID 146005458
7-chloro-1-(3-chloro-4-fluorophenyl)heptan-1-one
CID 24726766
1,3-bis(4-iodophenyl)propane-1,3-dione
CID 15256965
7-chloro-1-(3-chlorophenyl)heptan-1-one
CID 24723859
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(4-iodophenyl)heptan-1-one?
The IUPAC name of 7-chloro-1-(4-iodophenyl)heptan-1-one (CID 24723863) is 7-chloro-1-(4-iodophenyl)heptan-1-one.
What is the SMILES notation for 7-chloro-1-(4-iodophenyl)heptan-1-one?
The canonical SMILES for 7-chloro-1-(4-iodophenyl)heptan-1-one is O=C(CCCCCCCl)c1ccc(I)cc1.
What is the InChIKey of 7-chloro-1-(4-iodophenyl)heptan-1-one?
The InChIKey is ZTQCXFZWLQRNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClIO/c14-10-4-2-1-3-5-13(16)11-6-8-12(15)9-7-11/h6-9H,1-5,10H2.
What are the key properties of 7-chloro-1-(4-iodophenyl)heptan-1-one?
7-chloro-1-(4-iodophenyl)heptan-1-one has a molecular weight of 350.63 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(4-iodophenyl)heptan-1-one is sourced from PubChem (CID 24723863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).