4-chloro-2-(oxiran-2-ylmethoxy)benzaldehyde

C10H9ClO3 — CID 175222073

IUPAC4-chloro-2-(oxiran-2-ylmethoxy)benzaldehyde
SMILESO=Cc1ccc(Cl)cc1OCC1CO1
InChIInChI=1S/C10H9ClO3/c11-8-2-1-7(4-12)10(3-8)14-6-9-5-13-9/h1-4,9H,5-6H2
InChIKeyOCGBSCPXIAAPOI-UHFFFAOYSA-N
MW212.63 g/mol
LogP1.93
Rot. Bonds4

About 4-chloro-2-(oxiran-2-ylmethoxy)benzaldehyde

4-chloro-2-(oxiran-2-ylmethoxy)benzaldehyde (PubChem CID 175222073) has the molecular formula C10H9ClO3 and a molecular weight of 212.63 g/mol. Its IUPAC name is 4-chloro-2-(oxiran-2-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name4-chloro-2-(oxiran-2-ylmethoxy)benzaldehyde
PubChem CID175222073
Molecular FormulaC10H9ClO3
Molecular Weight212.63 g/mol
Exact Mass212.02
IUPAC Name4-chloro-2-(oxiran-2-ylmethoxy)benzaldehyde
SMILESO=Cc1ccc(Cl)cc1OCC1CO1
InChIInChI=1S/C10H9ClO3/c11-8-2-1-7(4-12)10(3-8)14-6-9-5-13-9/h1-4,9H,5-6H2
InChIKeyOCGBSCPXIAAPOI-UHFFFAOYSA-N
XLogP1.93
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde
CID 10703784
4-nitro-2-(oxiran-2-ylmethoxy)benzaldehyde
CID 22135516
4-chloro-2-[[(2R)-oxiran-2-yl]methoxy]benzonitrile
CID 10774786
4-(oxiran-2-ylmethoxy)naphthalene-1-carbaldehyde
CID 22999320
3,4-bis(oxiran-2-ylmethoxy)benzaldehyde
CID 175734853
2-methyl-3-(oxiran-2-ylmethoxy)benzaldehyde
CID 91239700
5-(4-fluorophenoxy)-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde
CID 10108143
4-bromo-2-(1,3-dioxolan-2-ylmethoxy)benzaldehyde
CID 75406688
2-[[2-bromo-4-(4-chlorophenyl)phenoxy]methyl]oxirane
CID 21396205
[2-[[(2R)-oxiran-2-yl]methoxy]phenyl] formate
CID 165349007
2-[(4,5-dichloro-2-methoxyphenoxy)methyl]oxirane
CID 58044663
(5-chloro-2-formylphenyl) nitrate
CID 174612607

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(oxiran-2-ylmethoxy)benzaldehyde?
The IUPAC name of 4-chloro-2-(oxiran-2-ylmethoxy)benzaldehyde (CID 175222073) is 4-chloro-2-(oxiran-2-ylmethoxy)benzaldehyde.
What is the SMILES notation for 4-chloro-2-(oxiran-2-ylmethoxy)benzaldehyde?
The canonical SMILES for 4-chloro-2-(oxiran-2-ylmethoxy)benzaldehyde is O=Cc1ccc(Cl)cc1OCC1CO1.
What is the InChIKey of 4-chloro-2-(oxiran-2-ylmethoxy)benzaldehyde?
The InChIKey is OCGBSCPXIAAPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3/c11-8-2-1-7(4-12)10(3-8)14-6-9-5-13-9/h1-4,9H,5-6H2.
What are the key properties of 4-chloro-2-(oxiran-2-ylmethoxy)benzaldehyde?
4-chloro-2-(oxiran-2-ylmethoxy)benzaldehyde has a molecular weight of 212.63 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(oxiran-2-ylmethoxy)benzaldehyde is sourced from PubChem (CID 175222073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).