1-(5-iodo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one

C17H17IO3 — CID 43339718

IUPAC1-(5-iodo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2cc(I)ccc2OC)cc1
InChIInChI=1S/C17H17IO3/c1-20-14-7-3-12(4-8-14)5-9-16(19)15-11-13(18)6-10-17(15)21-2/h3-4,6-8,10-11H,5,9H2,1-2H3
InChIKeyOTHIWYDJWSJWKM-UHFFFAOYSA-N
MW396.22 g/mol
LogP4.12
Rot. Bonds6

About 1-(5-iodo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one

1-(5-iodo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one (PubChem CID 43339718) has the molecular formula C17H17IO3 and a molecular weight of 396.22 g/mol. Its IUPAC name is 1-(5-iodo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(5-iodo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
PubChem CID43339718
Molecular FormulaC17H17IO3
Molecular Weight396.22 g/mol
Exact Mass396.02
IUPAC Name1-(5-iodo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2cc(I)ccc2OC)cc1
InChIInChI=1S/C17H17IO3/c1-20-14-7-3-12(4-8-14)5-9-16(19)15-11-13(18)6-10-17(15)21-2/h3-4,6-8,10-11H,5,9H2,1-2H3
InChIKeyOTHIWYDJWSJWKM-UHFFFAOYSA-N
XLogP4.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.22
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-iodo-2-methoxyphenyl)hexan-1-one
CID 43161666
1-(4-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974372
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
3-(4-aminophenyl)-1-(5-chloro-2-methoxyphenyl)propan-1-one
CID 116605537
1-(2-chloro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 106864975
1-(2,5-dimethoxyphenyl)pentane-1,4-dione
CID 43608296
1-(3-methoxynaphthalen-2-yl)-3-pyridin-4-ylpropan-1-one
CID 10684981
3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one
CID 81118412
ethane;3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-one
CID 145125132
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974368
N-(3-iodophenyl)-3-(4-methoxyphenyl)propanamide
CID 7688847

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(5-iodo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one (CID 43339718) is 1-(5-iodo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(5-iodo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(5-iodo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one is COc1ccc(CCC(=O)c2cc(I)ccc2OC)cc1.
What is the InChIKey of 1-(5-iodo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is OTHIWYDJWSJWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IO3/c1-20-14-7-3-12(4-8-14)5-9-16(19)15-11-13(18)6-10-17(15)21-2/h3-4,6-8,10-11H,5,9H2,1-2H3.
What are the key properties of 1-(5-iodo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one?
1-(5-iodo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 396.22 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodo-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 43339718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).