(4-ethoxy-3-iodophenyl)-(4-ethoxyphenyl)methanone

C17H17IO3 — CID 25178443

IUPAC(4-ethoxy-3-iodophenyl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2ccc(OCC)c(I)c2)cc1
InChIInChI=1S/C17H17IO3/c1-3-20-14-8-5-12(6-9-14)17(19)13-7-10-16(21-4-2)15(18)11-13/h5-11H,3-4H2,1-2H3
InChIKeySYWWCDOOAFPZNR-UHFFFAOYSA-N
MW396.22 g/mol
LogP4.32
Rot. Bonds6

About (4-ethoxy-3-iodophenyl)-(4-ethoxyphenyl)methanone

(4-ethoxy-3-iodophenyl)-(4-ethoxyphenyl)methanone (PubChem CID 25178443) has the molecular formula C17H17IO3 and a molecular weight of 396.22 g/mol. Its IUPAC name is (4-ethoxy-3-iodophenyl)-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-ethoxy-3-iodophenyl)-(4-ethoxyphenyl)methanone
PubChem CID25178443
Molecular FormulaC17H17IO3
Molecular Weight396.22 g/mol
Exact Mass396.02
IUPAC Name(4-ethoxy-3-iodophenyl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2ccc(OCC)c(I)c2)cc1
InChIInChI=1S/C17H17IO3/c1-3-20-14-8-5-12(6-9-14)17(19)13-7-10-16(21-4-2)15(18)11-13/h5-11H,3-4H2,1-2H3
InChIKeySYWWCDOOAFPZNR-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
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

(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393
bis(3,4-diethoxyphenyl)methanone
CID 135325793
(3-bromophenyl)-(4-ethoxyphenyl)methanone
CID 24723180
(4-aminophenyl)-(2,5-diethoxyphenyl)methanone
CID 82267801
1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methanone
CID 43338385
(4-amino-3,5-dichlorophenyl)-(4-ethoxyphenyl)methanone
CID 116609755
(4-ethoxyphenyl)-(3-methylsulfonylphenyl)methanone
CID 43338379
(3-bromo-4-ethoxyphenyl)-(3-iodophenyl)methanone
CID 113438012
methyl 2-bromo-4-(4-ethoxybenzoyl)benzoate
CID 89453280
(5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone
CID 43339931
(4-benzoyl-2-methylphenyl) (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 19181764
1-[4-(hydroxymethoxy)-3-iodophenyl]ethanone
CID 57071354

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3-iodophenyl)-(4-ethoxyphenyl)methanone?
The IUPAC name of (4-ethoxy-3-iodophenyl)-(4-ethoxyphenyl)methanone (CID 25178443) is (4-ethoxy-3-iodophenyl)-(4-ethoxyphenyl)methanone.
What is the SMILES notation for (4-ethoxy-3-iodophenyl)-(4-ethoxyphenyl)methanone?
The canonical SMILES for (4-ethoxy-3-iodophenyl)-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)c2ccc(OCC)c(I)c2)cc1.
What is the InChIKey of (4-ethoxy-3-iodophenyl)-(4-ethoxyphenyl)methanone?
The InChIKey is SYWWCDOOAFPZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IO3/c1-3-20-14-8-5-12(6-9-14)17(19)13-7-10-16(21-4-2)15(18)11-13/h5-11H,3-4H2,1-2H3.
What are the key properties of (4-ethoxy-3-iodophenyl)-(4-ethoxyphenyl)methanone?
(4-ethoxy-3-iodophenyl)-(4-ethoxyphenyl)methanone has a molecular weight of 396.22 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-3-iodophenyl)-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 25178443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).