1-(4-iodophenyl)-2-phenylbutan-1-one

C16H15IO — CID 11772471

IUPAC1-(4-iodophenyl)-2-phenylbutan-1-one
SMILESCCC(C(=O)c1ccc(I)cc1)c1ccccc1
InChIInChI=1S/C16H15IO/c1-2-15(12-6-4-3-5-7-12)16(18)13-8-10-14(17)11-9-13/h3-11,15H,2H2,1H3
InChIKeyQTFDWVRCMKYTMQ-UHFFFAOYSA-N
MW350.20 g/mol
LogP4.67
Rot. Bonds4

About 1-(4-iodophenyl)-2-phenylbutan-1-one

1-(4-iodophenyl)-2-phenylbutan-1-one (PubChem CID 11772471) has the molecular formula C16H15IO and a molecular weight of 350.20 g/mol. Its IUPAC name is 1-(4-iodophenyl)-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-(4-iodophenyl)-2-phenylbutan-1-one
PubChem CID11772471
Molecular FormulaC16H15IO
Molecular Weight350.20 g/mol
Exact Mass350.02
IUPAC Name1-(4-iodophenyl)-2-phenylbutan-1-one
SMILESCCC(C(=O)c1ccc(I)cc1)c1ccccc1
InChIInChI=1S/C16H15IO/c1-2-15(12-6-4-3-5-7-12)16(18)13-8-10-14(17)11-9-13/h3-11,15H,2H2,1H3
InChIKeyQTFDWVRCMKYTMQ-UHFFFAOYSA-N
XLogP4.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 914909
1-(5-methylthiophen-3-yl)-2-phenylbutan-1-one
CID 114975971
1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-one
CID 115812788
2-ethyl-1-(4-iodophenyl)butan-1-one
CID 43160317
(2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one
CID 125480458
2-phenyl-1-(3-propan-2-ylphenyl)butan-1-one
CID 146007205
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141
1-(4-chloro-3-ethylphenyl)-2-phenylbutan-1-one
CID 146008361
2-bromo-1-(4-iodophenyl)-2-phenylethanone
CID 14067171
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one
CID 70670904
1-(4-chloro-3-fluorophenyl)-2-phenylbutan-1-one
CID 146005749
1,2-bis(4-phenylmethoxyphenyl)butan-1-one
CID 70452916

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-2-phenylbutan-1-one?
The IUPAC name of 1-(4-iodophenyl)-2-phenylbutan-1-one (CID 11772471) is 1-(4-iodophenyl)-2-phenylbutan-1-one.
What is the SMILES notation for 1-(4-iodophenyl)-2-phenylbutan-1-one?
The canonical SMILES for 1-(4-iodophenyl)-2-phenylbutan-1-one is CCC(C(=O)c1ccc(I)cc1)c1ccccc1.
What is the InChIKey of 1-(4-iodophenyl)-2-phenylbutan-1-one?
The InChIKey is QTFDWVRCMKYTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IO/c1-2-15(12-6-4-3-5-7-12)16(18)13-8-10-14(17)11-9-13/h3-11,15H,2H2,1H3.
What are the key properties of 1-(4-iodophenyl)-2-phenylbutan-1-one?
1-(4-iodophenyl)-2-phenylbutan-1-one has a molecular weight of 350.20 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-2-phenylbutan-1-one is sourced from PubChem (CID 11772471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).