2-(3-iodophenyl)-2-methylpropanal

C10H11IO — CID 117047010

IUPAC2-(3-iodophenyl)-2-methylpropanal
SMILESCC(C)(C=O)c1cccc(I)c1
InChIInChI=1S/C10H11IO/c1-10(2,7-12)8-4-3-5-9(11)6-8/h3-7H,1-2H3
InChIKeyXNZOCERERNISAA-UHFFFAOYSA-N
MW274.10 g/mol
LogP2.77
Rot. Bonds2

About 2-(3-iodophenyl)-2-methylpropanal

2-(3-iodophenyl)-2-methylpropanal (PubChem CID 117047010) has the molecular formula C10H11IO and a molecular weight of 274.10 g/mol. Its IUPAC name is 2-(3-iodophenyl)-2-methylpropanal.

Molecular Properties

Compound Name2-(3-iodophenyl)-2-methylpropanal
PubChem CID117047010
Molecular FormulaC10H11IO
Molecular Weight274.10 g/mol
Exact Mass273.99
IUPAC Name2-(3-iodophenyl)-2-methylpropanal
SMILESCC(C)(C=O)c1cccc(I)c1
InChIInChI=1S/C10H11IO/c1-10(2,7-12)8-4-3-5-9(11)6-8/h3-7H,1-2H3
InChIKeyXNZOCERERNISAA-UHFFFAOYSA-N
XLogP2.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethylphenyl)-2-methylpropanal
CID 59042198
2-(4-fluoro-3-methylphenyl)-2-methylpropanal
CID 83683621
2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropanal
CID 23439965
2-(8-hydroxynaphthalen-2-yl)-2-methylpropanal
CID 105467590
2-(5-chloronaphthalen-2-yl)-2-methylpropanal
CID 105492066
2-(3-iodophenyl)-2-methylpent-4-enenitrile
CID 117049281
2-(4-bromophenyl)-2-methylpropanal
CID 10013947
2-(2-iodophenyl)-2-methylpropanal
CID 117046923
N,N-bis(4-tert-butylphenyl)-3-iodoaniline
CID 142315159
2-fluoro-2-(3-hydroxyphenyl)propanal
CID 105433688
1-iodo-3-[1,1,2,2-tetrafluoro-2-[4-[4-[1,1,2,2-tetrafluoro-2-(3-iodophenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 22336558
2-(3-chloro-4-methylsulfanylphenyl)-2-methylpropanal
CID 105486130

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenyl)-2-methylpropanal?
The IUPAC name of 2-(3-iodophenyl)-2-methylpropanal (CID 117047010) is 2-(3-iodophenyl)-2-methylpropanal.
What is the SMILES notation for 2-(3-iodophenyl)-2-methylpropanal?
The canonical SMILES for 2-(3-iodophenyl)-2-methylpropanal is CC(C)(C=O)c1cccc(I)c1.
What is the InChIKey of 2-(3-iodophenyl)-2-methylpropanal?
The InChIKey is XNZOCERERNISAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO/c1-10(2,7-12)8-4-3-5-9(11)6-8/h3-7H,1-2H3.
What are the key properties of 2-(3-iodophenyl)-2-methylpropanal?
2-(3-iodophenyl)-2-methylpropanal has a molecular weight of 274.10 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenyl)-2-methylpropanal is sourced from PubChem (CID 117047010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).