2-(hydroxymethyl)-5-[2-(iodomethoxy)ethyl]benzaldehyde

C11H13IO3 — CID 138738702

IUPAC2-(hydroxymethyl)-5-[2-(iodomethoxy)ethyl]benzaldehyde
SMILESO=Cc1cc(CCOCI)ccc1CO
InChIInChI=1S/C11H13IO3/c12-8-15-4-3-9-1-2-10(6-13)11(5-9)7-14/h1-2,5,7,13H,3-4,6,8H2
InChIKeyDEIDRYPPIIGKMS-UHFFFAOYSA-N
MW320.13 g/mol
LogP1.94
Rot. Bonds6

About 2-(hydroxymethyl)-5-[2-(iodomethoxy)ethyl]benzaldehyde

2-(hydroxymethyl)-5-[2-(iodomethoxy)ethyl]benzaldehyde (PubChem CID 138738702) has the molecular formula C11H13IO3 and a molecular weight of 320.13 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-[2-(iodomethoxy)ethyl]benzaldehyde.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-[2-(iodomethoxy)ethyl]benzaldehyde
PubChem CID138738702
Molecular FormulaC11H13IO3
Molecular Weight320.13 g/mol
Exact Mass319.99
IUPAC Name2-(hydroxymethyl)-5-[2-(iodomethoxy)ethyl]benzaldehyde
SMILESO=Cc1cc(CCOCI)ccc1CO
InChIInChI=1S/C11H13IO3/c12-8-15-4-3-9-1-2-10(6-13)11(5-9)7-14/h1-2,5,7,13H,3-4,6,8H2
InChIKeyDEIDRYPPIIGKMS-UHFFFAOYSA-N
XLogP1.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis(2-methoxyethyl)benzaldehyde
CID 123268427
2-ethyl-5-(hydroxymethyl)benzaldehyde
CID 131311847
2-[4-(hydroxymethyl)-3-iodophenyl]ethyl acetate
CID 164715519
3-[3-hydroxy-4-(hydroxymethyl)phenyl]propanal
CID 117278337
5-[4-(dimethylamino)phenyl]-2-(hydroxymethyl)benzaldehyde
CID 89357003
5-(4-ethynylphenyl)-2-(hydroxymethyl)benzaldehyde
CID 89357014
2-(2-aminooxyethyl)-5-hydroxybenzaldehyde
CID 117278592
5-ethyl-2-(2-hydroxyethoxy)benzaldehyde
CID 22039827
5-hydroxy-2-(3-hydroxypropyl)benzaldehyde
CID 117278294
2-hydroxy-5-(2-phenylethyl)benzaldehyde
CID 101003215
3-hydroxy-5-(hydroxymethyl)phthalaldehyde
CID 166810861
2-[2-(3,4-diethylphenyl)ethoxy]-N-ethylethanamine
CID 113319292

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-[2-(iodomethoxy)ethyl]benzaldehyde?
The IUPAC name of 2-(hydroxymethyl)-5-[2-(iodomethoxy)ethyl]benzaldehyde (CID 138738702) is 2-(hydroxymethyl)-5-[2-(iodomethoxy)ethyl]benzaldehyde.
What is the SMILES notation for 2-(hydroxymethyl)-5-[2-(iodomethoxy)ethyl]benzaldehyde?
The canonical SMILES for 2-(hydroxymethyl)-5-[2-(iodomethoxy)ethyl]benzaldehyde is O=Cc1cc(CCOCI)ccc1CO.
What is the InChIKey of 2-(hydroxymethyl)-5-[2-(iodomethoxy)ethyl]benzaldehyde?
The InChIKey is DEIDRYPPIIGKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IO3/c12-8-15-4-3-9-1-2-10(6-13)11(5-9)7-14/h1-2,5,7,13H,3-4,6,8H2.
What are the key properties of 2-(hydroxymethyl)-5-[2-(iodomethoxy)ethyl]benzaldehyde?
2-(hydroxymethyl)-5-[2-(iodomethoxy)ethyl]benzaldehyde has a molecular weight of 320.13 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-[2-(iodomethoxy)ethyl]benzaldehyde is sourced from PubChem (CID 138738702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).