2-chloro-3-[2-(methoxymethoxy)phenyl]benzaldehyde

C15H13ClO3 — CID 172649741

IUPAC2-chloro-3-[2-(methoxymethoxy)phenyl]benzaldehyde
SMILESCOCOc1ccccc1-c1cccc(C=O)c1Cl
InChIInChI=1S/C15H13ClO3/c1-18-10-19-14-8-3-2-6-12(14)13-7-4-5-11(9-17)15(13)16/h2-9H,10H2,1H3
InChIKeySBVIQJYXUASFRY-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.80
Rot. Bonds5

About 2-chloro-3-[2-(methoxymethoxy)phenyl]benzaldehyde

2-chloro-3-[2-(methoxymethoxy)phenyl]benzaldehyde (PubChem CID 172649741) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-chloro-3-[2-(methoxymethoxy)phenyl]benzaldehyde.

Molecular Properties

Compound Name2-chloro-3-[2-(methoxymethoxy)phenyl]benzaldehyde
PubChem CID172649741
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name2-chloro-3-[2-(methoxymethoxy)phenyl]benzaldehyde
SMILESCOCOc1ccccc1-c1cccc(C=O)c1Cl
InChIInChI=1S/C15H13ClO3/c1-18-10-19-14-8-3-2-6-12(14)13-7-4-5-11(9-17)15(13)16/h2-9H,10H2,1H3
InChIKeySBVIQJYXUASFRY-UHFFFAOYSA-N
XLogP3.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

2-chloro-3-(2-methoxyphenyl)benzaldehyde
CID 175756808
5-methoxy-2-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649732
2-fluoro-6-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649734
2-bromo-3-(methoxymethoxy)benzaldehyde
CID 59515258
2-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649769
2-fluoro-4-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649767
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
2-[4-(methoxymethoxy)phenyl]benzaldehyde
CID 22125803
4-[2-(methoxymethoxy)phenyl]-2-(trifluoromethoxy)benzaldehyde
CID 172649770
2-bromo-1-chloro-3-(methoxymethoxy)benzene
CID 164894389
2-ethyl-6-(methoxymethoxy)benzaldehyde
CID 59509177
4-fluoro-8-(methoxymethoxy)naphthalene-1-carbaldehyde
CID 11736457

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[2-(methoxymethoxy)phenyl]benzaldehyde?
The IUPAC name of 2-chloro-3-[2-(methoxymethoxy)phenyl]benzaldehyde (CID 172649741) is 2-chloro-3-[2-(methoxymethoxy)phenyl]benzaldehyde.
What is the SMILES notation for 2-chloro-3-[2-(methoxymethoxy)phenyl]benzaldehyde?
The canonical SMILES for 2-chloro-3-[2-(methoxymethoxy)phenyl]benzaldehyde is COCOc1ccccc1-c1cccc(C=O)c1Cl.
What is the InChIKey of 2-chloro-3-[2-(methoxymethoxy)phenyl]benzaldehyde?
The InChIKey is SBVIQJYXUASFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-18-10-19-14-8-3-2-6-12(14)13-7-4-5-11(9-17)15(13)16/h2-9H,10H2,1H3.
What are the key properties of 2-chloro-3-[2-(methoxymethoxy)phenyl]benzaldehyde?
2-chloro-3-[2-(methoxymethoxy)phenyl]benzaldehyde has a molecular weight of 276.72 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[2-(methoxymethoxy)phenyl]benzaldehyde is sourced from PubChem (CID 172649741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).