2-[3-chloro-2,6-bis(methoxymethoxy)phenyl]acetaldehyde

C12H15ClO5 — CID 146460502

IUPAC2-[3-chloro-2,6-bis(methoxymethoxy)phenyl]acetaldehyde
SMILESCOCOc1ccc(Cl)c(OCOC)c1CC=O
InChIInChI=1S/C12H15ClO5/c1-15-7-17-11-4-3-10(13)12(18-8-16-2)9(11)5-6-14/h3-4,6H,5,7-8H2,1-2H3
InChIKeyDNUVTIXMBNJCKX-UHFFFAOYSA-N
MW274.70 g/mol
LogP2.05
Rot. Bonds8

About 2-[3-chloro-2,6-bis(methoxymethoxy)phenyl]acetaldehyde

2-[3-chloro-2,6-bis(methoxymethoxy)phenyl]acetaldehyde (PubChem CID 146460502) has the molecular formula C12H15ClO5 and a molecular weight of 274.70 g/mol. Its IUPAC name is 2-[3-chloro-2,6-bis(methoxymethoxy)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[3-chloro-2,6-bis(methoxymethoxy)phenyl]acetaldehyde
PubChem CID146460502
Molecular FormulaC12H15ClO5
Molecular Weight274.70 g/mol
Exact Mass274.06
IUPAC Name2-[3-chloro-2,6-bis(methoxymethoxy)phenyl]acetaldehyde
SMILESCOCOc1ccc(Cl)c(OCOC)c1CC=O
InChIInChI=1S/C12H15ClO5/c1-15-7-17-11-4-3-10(13)12(18-8-16-2)9(11)5-6-14/h3-4,6H,5,7-8H2,1-2H3
InChIKeyDNUVTIXMBNJCKX-UHFFFAOYSA-N
XLogP2.05
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2,6-bis(methoxymethoxy)phenyl]acetaldehyde?
The IUPAC name of 2-[3-chloro-2,6-bis(methoxymethoxy)phenyl]acetaldehyde (CID 146460502) is 2-[3-chloro-2,6-bis(methoxymethoxy)phenyl]acetaldehyde.
What is the SMILES notation for 2-[3-chloro-2,6-bis(methoxymethoxy)phenyl]acetaldehyde?
The canonical SMILES for 2-[3-chloro-2,6-bis(methoxymethoxy)phenyl]acetaldehyde is COCOc1ccc(Cl)c(OCOC)c1CC=O.
What is the InChIKey of 2-[3-chloro-2,6-bis(methoxymethoxy)phenyl]acetaldehyde?
The InChIKey is DNUVTIXMBNJCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO5/c1-15-7-17-11-4-3-10(13)12(18-8-16-2)9(11)5-6-14/h3-4,6H,5,7-8H2,1-2H3.
What are the key properties of 2-[3-chloro-2,6-bis(methoxymethoxy)phenyl]acetaldehyde?
2-[3-chloro-2,6-bis(methoxymethoxy)phenyl]acetaldehyde has a molecular weight of 274.70 g/mol, XLogP of 2.05, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2,6-bis(methoxymethoxy)phenyl]acetaldehyde is sourced from PubChem (CID 146460502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).