1-[4-(4-iodophenyl)phenoxy]propan-2-one

C15H13IO2 — CID 60624034

IUPAC1-[4-(4-iodophenyl)phenoxy]propan-2-one
SMILESCC(=O)COc1ccc(-c2ccc(I)cc2)cc1
InChIInChI=1S/C15H13IO2/c1-11(17)10-18-15-8-4-13(5-9-15)12-2-6-14(16)7-3-12/h2-9H,10H2,1H3
InChIKeyVUXXXKYQKBMZKJ-UHFFFAOYSA-N
MW352.17 g/mol
LogP3.93
Rot. Bonds4

About 1-[4-(4-iodophenyl)phenoxy]propan-2-one

1-[4-(4-iodophenyl)phenoxy]propan-2-one (PubChem CID 60624034) has the molecular formula C15H13IO2 and a molecular weight of 352.17 g/mol. Its IUPAC name is 1-[4-(4-iodophenyl)phenoxy]propan-2-one.

Molecular Properties

Compound Name1-[4-(4-iodophenyl)phenoxy]propan-2-one
PubChem CID60624034
Molecular FormulaC15H13IO2
Molecular Weight352.17 g/mol
Exact Mass352.00
IUPAC Name1-[4-(4-iodophenyl)phenoxy]propan-2-one
SMILESCC(=O)COc1ccc(-c2ccc(I)cc2)cc1
InChIInChI=1S/C15H13IO2/c1-11(17)10-18-15-8-4-13(5-9-15)12-2-6-14(16)7-3-12/h2-9H,10H2,1H3
InChIKeyVUXXXKYQKBMZKJ-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.17
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-(2-oxopropoxy)phenoxy]phenoxy]propan-2-one
CID 134691477
1-(4-iodophenoxy)-3,3-dimethylbutan-2-one
CID 60626826
4-(4-iodophenoxy)-3-methylbut-2-enoic acid
CID 77005580
1-(4-ethylphenoxy)propan-2-one
CID 21325379
1-[4-[2-(4-iodophenyl)-2-oxoethoxy]phenyl]propan-2-one
CID 115496045
1-(4-iodo-3-methoxyphenoxy)propan-2-one
CID 59267144
methyl 4-[4-(4-iodophenyl)phenoxy]butanoate
CID 43378252
2-(4-iodophenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 60659687
1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-one
CID 43411675
2-[4-(2-oxopropoxy)phenyl]propanedioic acid
CID 67574967
2-[4-(4-iodophenyl)phenoxy]propanoic acid
CID 16773911
2-(4-iodophenoxy)-N-[(Z)-1-phenylethylideneamino]acetamide
CID 171980951

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-iodophenyl)phenoxy]propan-2-one?
The IUPAC name of 1-[4-(4-iodophenyl)phenoxy]propan-2-one (CID 60624034) is 1-[4-(4-iodophenyl)phenoxy]propan-2-one.
What is the SMILES notation for 1-[4-(4-iodophenyl)phenoxy]propan-2-one?
The canonical SMILES for 1-[4-(4-iodophenyl)phenoxy]propan-2-one is CC(=O)COc1ccc(-c2ccc(I)cc2)cc1.
What is the InChIKey of 1-[4-(4-iodophenyl)phenoxy]propan-2-one?
The InChIKey is VUXXXKYQKBMZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IO2/c1-11(17)10-18-15-8-4-13(5-9-15)12-2-6-14(16)7-3-12/h2-9H,10H2,1H3.
What are the key properties of 1-[4-(4-iodophenyl)phenoxy]propan-2-one?
1-[4-(4-iodophenyl)phenoxy]propan-2-one has a molecular weight of 352.17 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-iodophenyl)phenoxy]propan-2-one is sourced from PubChem (CID 60624034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).