3-iodo-5-methoxy-4-(3-phenylprop-2-enoxy)benzaldehyde

C17H15IO3 — CID 2975320

IUPAC3-iodo-5-methoxy-4-(3-phenylprop-2-enoxy)benzaldehyde
SMILESCOc1cc(C=O)cc(I)c1OCC=Cc1ccccc1
InChIInChI=1S/C17H15IO3/c1-20-16-11-14(12-19)10-15(18)17(16)21-9-5-8-13-6-3-2-4-7-13/h2-8,10-12H,9H2,1H3
InChIKeySVOGKZIOQNFBCP-UHFFFAOYSA-N
MW394.21 g/mol
LogP4.20
Rot. Bonds6

About 3-iodo-5-methoxy-4-(3-phenylprop-2-enoxy)benzaldehyde

3-iodo-5-methoxy-4-(3-phenylprop-2-enoxy)benzaldehyde (PubChem CID 2975320) has the molecular formula C17H15IO3 and a molecular weight of 394.21 g/mol. Its IUPAC name is 3-iodo-5-methoxy-4-(3-phenylprop-2-enoxy)benzaldehyde.

Molecular Properties

Compound Name3-iodo-5-methoxy-4-(3-phenylprop-2-enoxy)benzaldehyde
PubChem CID2975320
Molecular FormulaC17H15IO3
Molecular Weight394.21 g/mol
Exact Mass394.01
IUPAC Name3-iodo-5-methoxy-4-(3-phenylprop-2-enoxy)benzaldehyde
SMILESCOc1cc(C=O)cc(I)c1OCC=Cc1ccccc1
InChIInChI=1S/C17H15IO3/c1-20-16-11-14(12-19)10-15(18)17(16)21-9-5-8-13-6-3-2-4-7-13/h2-8,10-12H,9H2,1H3
InChIKeySVOGKZIOQNFBCP-UHFFFAOYSA-N
XLogP4.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.21
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-bromophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde
CID 598181
3-ethoxy-5-iodo-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 165353614
3-iodo-5-methoxy-4-(2-methylprop-2-enoxy)benzaldehyde
CID 1247963
4-[(3-chlorophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde
CID 4770099
3-iodo-5-methoxy-4-(2,2,3,3,3-pentafluoropropoxy)benzaldehyde
CID 176508000
1-iodo-2-[(E)-3-phenylprop-2-enoxy]benzene
CID 11198459
3-[(4-formyl-2-iodo-6-methoxyphenoxy)methyl]benzonitrile
CID 28690184
3-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 53401732
3-(3-phenylprop-2-enoxy)benzaldehyde
CID 53409573
3-(5-formyl-3-methoxy-2-phenylmethoxyphenoxy)-5-methoxy-4-phenylmethoxybenzaldehyde
CID 102236097
N-(4-chlorophenyl)-2-(4-formyl-2-iodo-6-methoxyphenoxy)acetamide
CID 17202159
3,5-bis(methoxymethoxy)-4-[(Z)-3-phenylprop-2-enyl]benzaldehyde
CID 59560058

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-methoxy-4-(3-phenylprop-2-enoxy)benzaldehyde?
The IUPAC name of 3-iodo-5-methoxy-4-(3-phenylprop-2-enoxy)benzaldehyde (CID 2975320) is 3-iodo-5-methoxy-4-(3-phenylprop-2-enoxy)benzaldehyde.
What is the SMILES notation for 3-iodo-5-methoxy-4-(3-phenylprop-2-enoxy)benzaldehyde?
The canonical SMILES for 3-iodo-5-methoxy-4-(3-phenylprop-2-enoxy)benzaldehyde is COc1cc(C=O)cc(I)c1OCC=Cc1ccccc1.
What is the InChIKey of 3-iodo-5-methoxy-4-(3-phenylprop-2-enoxy)benzaldehyde?
The InChIKey is SVOGKZIOQNFBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IO3/c1-20-16-11-14(12-19)10-15(18)17(16)21-9-5-8-13-6-3-2-4-7-13/h2-8,10-12H,9H2,1H3.
What are the key properties of 3-iodo-5-methoxy-4-(3-phenylprop-2-enoxy)benzaldehyde?
3-iodo-5-methoxy-4-(3-phenylprop-2-enoxy)benzaldehyde has a molecular weight of 394.21 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-methoxy-4-(3-phenylprop-2-enoxy)benzaldehyde is sourced from PubChem (CID 2975320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).