2-(4-iodophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

C18H17IO2 — CID 2953479

IUPAC2-(4-iodophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESO=C(COc1ccc(I)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H17IO2/c19-16-7-9-17(10-8-16)21-12-18(20)15-6-5-13-3-1-2-4-14(13)11-15/h5-11H,1-4,12H2
InChIKeyYOFZPAGHEKQDFM-UHFFFAOYSA-N
MW392.24 g/mol
LogP4.43
Rot. Bonds4

About 2-(4-iodophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

2-(4-iodophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 2953479) has the molecular formula C18H17IO2 and a molecular weight of 392.24 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-iodophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
PubChem CID2953479
Molecular FormulaC18H17IO2
Molecular Weight392.24 g/mol
Exact Mass392.03
IUPAC Name2-(4-iodophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESO=C(COc1ccc(I)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H17IO2/c19-16-7-9-17(10-8-16)21-12-18(20)15-6-5-13-3-1-2-4-14(13)11-15/h5-11H,1-4,12H2
InChIKeyYOFZPAGHEKQDFM-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 54.43
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

[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678932
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoro-4-methylphenoxy)ethanone
CID 107169810
1-(4-chlorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone
CID 43411846
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluorophenoxy)ethanone
CID 43413398
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-iodophenoxy)acetamide
CID 2627640
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-iodophenoxy)ethanone
CID 7473176
2-(2,6-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 63567111
1-(2,3-dihydro-1H-inden-5-yl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 112778139
methyl 2-[4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]phenoxy]acetate
CID 55709002
3-chloro-4-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethoxy]benzonitrile
CID 8977247
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 4-propan-2-yloxybenzoate
CID 7210443
1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone
CID 43798834

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 2-(4-iodophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (CID 2953479) is 2-(4-iodophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 2-(4-iodophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 2-(4-iodophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is O=C(COc1ccc(I)cc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(4-iodophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is YOFZPAGHEKQDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17IO2/c19-16-7-9-17(10-8-16)21-12-18(20)15-6-5-13-3-1-2-4-14(13)11-15/h5-11H,1-4,12H2.
What are the key properties of 2-(4-iodophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
2-(4-iodophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 392.24 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 2953479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).