2-(2-iodophenoxy)-1-(4-methylphenyl)propan-1-one

C16H15IO2 — CID 62034536

IUPAC2-(2-iodophenoxy)-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)Oc2ccccc2I)cc1
InChIInChI=1S/C16H15IO2/c1-11-7-9-13(10-8-11)16(18)12(2)19-15-6-4-3-5-14(15)17/h3-10,12H,1-2H3
InChIKeyRWQSVMFYCMWOBR-UHFFFAOYSA-N
MW366.20 g/mol
LogP4.25
Rot. Bonds4

About 2-(2-iodophenoxy)-1-(4-methylphenyl)propan-1-one

2-(2-iodophenoxy)-1-(4-methylphenyl)propan-1-one (PubChem CID 62034536) has the molecular formula C16H15IO2 and a molecular weight of 366.20 g/mol. Its IUPAC name is 2-(2-iodophenoxy)-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(2-iodophenoxy)-1-(4-methylphenyl)propan-1-one
PubChem CID62034536
Molecular FormulaC16H15IO2
Molecular Weight366.20 g/mol
Exact Mass366.01
IUPAC Name2-(2-iodophenoxy)-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)Oc2ccccc2I)cc1
InChIInChI=1S/C16H15IO2/c1-11-7-9-13(10-8-11)16(18)12(2)19-15-6-4-3-5-14(15)17/h3-10,12H,1-2H3
InChIKeyRWQSVMFYCMWOBR-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 54.25
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

(2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one
CID 898478
1-(4-methylphenyl)-2-(2-methylsulfanylphenoxy)propan-1-one
CID 63647844
1-(4-methylphenyl)-2-(2-prop-1-enylphenoxy)propan-1-one
CID 76999449
[1-(4-methylphenyl)-1-oxopropan-2-yl] 2-iodobenzoate
CID 16521741
2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one
CID 46307778
1-(4-methylphenyl)-2-(2-prop-2-enylphenoxy)propan-1-one
CID 62034186
2-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 7980882
1-(4-methoxyphenyl)-2-(2-methylphenoxy)propan-1-one
CID 43413172
2-(3-aminophenoxy)-1-(4-methylphenyl)propan-1-one
CID 46307478
(2S)-2-(2-chlorophenoxy)-1-(4-chlorophenyl)propan-1-one
CID 891501
2-(2-bromo-4-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one
CID 104708077
2-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 64854262

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodophenoxy)-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 2-(2-iodophenoxy)-1-(4-methylphenyl)propan-1-one (CID 62034536) is 2-(2-iodophenoxy)-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-(2-iodophenoxy)-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 2-(2-iodophenoxy)-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)C(C)Oc2ccccc2I)cc1.
What is the InChIKey of 2-(2-iodophenoxy)-1-(4-methylphenyl)propan-1-one?
The InChIKey is RWQSVMFYCMWOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IO2/c1-11-7-9-13(10-8-11)16(18)12(2)19-15-6-4-3-5-14(15)17/h3-10,12H,1-2H3.
What are the key properties of 2-(2-iodophenoxy)-1-(4-methylphenyl)propan-1-one?
2-(2-iodophenoxy)-1-(4-methylphenyl)propan-1-one has a molecular weight of 366.20 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenoxy)-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 62034536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).