1-(3-ethyl-2-iodophenyl)propan-2-one

C11H13IO — CID 118824514

IUPAC1-(3-ethyl-2-iodophenyl)propan-2-one
SMILESCCc1cccc(CC(C)=O)c1I
InChIInChI=1S/C11H13IO/c1-3-9-5-4-6-10(11(9)12)7-8(2)13/h4-6H,3,7H2,1-2H3
InChIKeyDYJDCBDRVYBUSR-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.99
Rot. Bonds3

About 1-(3-ethyl-2-iodophenyl)propan-2-one

1-(3-ethyl-2-iodophenyl)propan-2-one (PubChem CID 118824514) has the molecular formula C11H13IO and a molecular weight of 288.13 g/mol. Its IUPAC name is 1-(3-ethyl-2-iodophenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-ethyl-2-iodophenyl)propan-2-one
PubChem CID118824514
Molecular FormulaC11H13IO
Molecular Weight288.13 g/mol
Exact Mass288.00
IUPAC Name1-(3-ethyl-2-iodophenyl)propan-2-one
SMILESCCc1cccc(CC(C)=O)c1I
InChIInChI=1S/C11H13IO/c1-3-9-5-4-6-10(11(9)12)7-8(2)13/h4-6H,3,7H2,1-2H3
InChIKeyDYJDCBDRVYBUSR-UHFFFAOYSA-N
XLogP2.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 118847001
1-[3-ethyl-2-(trifluoromethyl)phenyl]propan-2-one
CID 118835917
1-(2,6-diethylphenyl)ethanone
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2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid
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CID 160931095
1-(3-hydroxy-2-methylsulfonylphenyl)propan-2-one
CID 117328853
1-(5-methylnaphthalen-1-yl)propan-2-one
CID 59096635
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CID 83709858
1-(2-chloro-3-methylphenyl)propan-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-iodophenyl)propan-2-one?
The IUPAC name of 1-(3-ethyl-2-iodophenyl)propan-2-one (CID 118824514) is 1-(3-ethyl-2-iodophenyl)propan-2-one.
What is the SMILES notation for 1-(3-ethyl-2-iodophenyl)propan-2-one?
The canonical SMILES for 1-(3-ethyl-2-iodophenyl)propan-2-one is CCc1cccc(CC(C)=O)c1I.
What is the InChIKey of 1-(3-ethyl-2-iodophenyl)propan-2-one?
The InChIKey is DYJDCBDRVYBUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IO/c1-3-9-5-4-6-10(11(9)12)7-8(2)13/h4-6H,3,7H2,1-2H3.
What are the key properties of 1-(3-ethyl-2-iodophenyl)propan-2-one?
1-(3-ethyl-2-iodophenyl)propan-2-one has a molecular weight of 288.13 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-iodophenyl)propan-2-one is sourced from PubChem (CID 118824514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).