5-chloro-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde

C10H9ClO3 — CID 10703784

IUPAC5-chloro-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde
SMILESO=Cc1cc(Cl)ccc1OC[C@H]1CO1
InChIInChI=1S/C10H9ClO3/c11-8-1-2-10(7(3-8)4-12)14-6-9-5-13-9/h1-4,9H,5-6H2/t9-/m1/s1
InChIKeyMYCJGUWVMZIHCT-SECBINFHSA-N
MW212.63 g/mol
LogP1.93
Rot. Bonds4

About 5-chloro-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde

5-chloro-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde (PubChem CID 10703784) has the molecular formula C10H9ClO3 and a molecular weight of 212.63 g/mol. Its IUPAC name is 5-chloro-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde
PubChem CID10703784
Molecular FormulaC10H9ClO3
Molecular Weight212.63 g/mol
Exact Mass212.02
IUPAC Name5-chloro-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde
SMILESO=Cc1cc(Cl)ccc1OC[C@H]1CO1
InChIInChI=1S/C10H9ClO3/c11-8-1-2-10(7(3-8)4-12)14-6-9-5-13-9/h1-4,9H,5-6H2/t9-/m1/s1
InChIKeyMYCJGUWVMZIHCT-SECBINFHSA-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

4-chloro-2-(oxiran-2-ylmethoxy)benzaldehyde
CID 175222073
5-(4-fluorophenoxy)-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde
CID 10108143
3,4-bis(oxiran-2-ylmethoxy)benzaldehyde
CID 175734853
4-(oxiran-2-ylmethoxy)naphthalene-1-carbaldehyde
CID 22999320
4-chloro-2-[[(2R)-oxiran-2-yl]methoxy]benzonitrile
CID 10774786
4-nitro-2-(oxiran-2-ylmethoxy)benzaldehyde
CID 22135516
5-chloro-2-[3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propoxy]benzaldehyde
CID 7380001
2-methyl-3-(oxiran-2-ylmethoxy)benzaldehyde
CID 91239700
5-chloro-2-[2-(2-chlorophenoxy)ethoxy]benzaldehyde
CID 22684407
5-chloro-2-(3,3,3-trifluoropropoxy)benzaldehyde
CID 60772707
2-[[2-bromo-4-(4-chlorophenyl)phenoxy]methyl]oxirane
CID 21396205
5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde
CID 20992054

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde?
The IUPAC name of 5-chloro-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde (CID 10703784) is 5-chloro-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde.
What is the SMILES notation for 5-chloro-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde?
The canonical SMILES for 5-chloro-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde is O=Cc1cc(Cl)ccc1OC[C@H]1CO1.
What is the InChIKey of 5-chloro-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde?
The InChIKey is MYCJGUWVMZIHCT-SECBINFHSA-N. The full InChI is InChI=1S/C10H9ClO3/c11-8-1-2-10(7(3-8)4-12)14-6-9-5-13-9/h1-4,9H,5-6H2/t9-/m1/s1.
What are the key properties of 5-chloro-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde?
5-chloro-2-[[(2R)-oxiran-2-yl]methoxy]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 5-chloro-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde is sourced from PubChem (CID 10703784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).