4-iodo-3-propan-2-ylbenzaldehyde

C10H11IO — CID 22259703

IUPAC4-iodo-3-propan-2-ylbenzaldehyde
SMILESCC(C)c1cc(C=O)ccc1I
InChIInChI=1S/C10H11IO/c1-7(2)9-5-8(6-12)3-4-10(9)11/h3-7H,1-2H3
InChIKeyAYJPVKZNQOHIID-UHFFFAOYSA-N
MW274.10 g/mol
LogP3.23
Rot. Bonds2

About 4-iodo-3-propan-2-ylbenzaldehyde

4-iodo-3-propan-2-ylbenzaldehyde (PubChem CID 22259703) has the molecular formula C10H11IO and a molecular weight of 274.10 g/mol. Its IUPAC name is 4-iodo-3-propan-2-ylbenzaldehyde.

Molecular Properties

Compound Name4-iodo-3-propan-2-ylbenzaldehyde
PubChem CID22259703
Molecular FormulaC10H11IO
Molecular Weight274.10 g/mol
Exact Mass273.99
IUPAC Name4-iodo-3-propan-2-ylbenzaldehyde
SMILESCC(C)c1cc(C=O)ccc1I
InChIInChI=1S/C10H11IO/c1-7(2)9-5-8(6-12)3-4-10(9)11/h3-7H,1-2H3
InChIKeyAYJPVKZNQOHIID-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
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

4-propan-2-ylbenzene-1,3-dicarbaldehyde
CID 86643444
3-propan-2-yl-4-(trifluoromethyl)benzaldehyde
CID 131513542
1,4-diiodo-2-propan-2-ylbenzene
CID 71000258
2-(4-formyl-2-iodophenyl)propanoic acid
CID 134658408
2-(2-iodo-5-sulfanylphenyl)propanal
CID 134639371
3-iodo-1-methylindole-5-carbaldehyde
CID 124908219
4-propan-2-ylbenzaldehyde
CID 326
ethane;iodomethane;4-propan-2-ylbenzaldehyde
CID 145474217
methyl 4-iodo-3-propan-2-ylbenzoate
CID 134691911
3-(1-aminoethyl)-4-methoxybenzaldehyde
CID 105438048
3-[(2R)-butan-2-yl]-4-ethoxybenzaldehyde
CID 86324040
3-[(2R)-butan-2-yl]-4-methoxybenzaldehyde
CID 86324038

Frequently Asked Questions

What is the IUPAC name of 4-iodo-3-propan-2-ylbenzaldehyde?
The IUPAC name of 4-iodo-3-propan-2-ylbenzaldehyde (CID 22259703) is 4-iodo-3-propan-2-ylbenzaldehyde.
What is the SMILES notation for 4-iodo-3-propan-2-ylbenzaldehyde?
The canonical SMILES for 4-iodo-3-propan-2-ylbenzaldehyde is CC(C)c1cc(C=O)ccc1I.
What is the InChIKey of 4-iodo-3-propan-2-ylbenzaldehyde?
The InChIKey is AYJPVKZNQOHIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO/c1-7(2)9-5-8(6-12)3-4-10(9)11/h3-7H,1-2H3.
What are the key properties of 4-iodo-3-propan-2-ylbenzaldehyde?
4-iodo-3-propan-2-ylbenzaldehyde has a molecular weight of 274.10 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3-propan-2-ylbenzaldehyde is sourced from PubChem (CID 22259703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).