2-chloro-6-[(3,4-dimethoxyphenyl)methoxy]benzaldehyde

C16H15ClO4 — CID 60790504

IUPAC2-chloro-6-[(3,4-dimethoxyphenyl)methoxy]benzaldehyde
SMILESCOc1ccc(COc2cccc(Cl)c2C=O)cc1OC
InChIInChI=1S/C16H15ClO4/c1-19-15-7-6-11(8-16(15)20-2)10-21-14-5-3-4-13(17)12(14)9-18/h3-9H,10H2,1-2H3
InChIKeyCYMDHMROLLLLGI-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.75
Rot. Bonds6

About 2-chloro-6-[(3,4-dimethoxyphenyl)methoxy]benzaldehyde

2-chloro-6-[(3,4-dimethoxyphenyl)methoxy]benzaldehyde (PubChem CID 60790504) has the molecular formula C16H15ClO4 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-chloro-6-[(3,4-dimethoxyphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name2-chloro-6-[(3,4-dimethoxyphenyl)methoxy]benzaldehyde
PubChem CID60790504
Molecular FormulaC16H15ClO4
Molecular Weight306.75 g/mol
Exact Mass306.07
IUPAC Name2-chloro-6-[(3,4-dimethoxyphenyl)methoxy]benzaldehyde
SMILESCOc1ccc(COc2cccc(Cl)c2C=O)cc1OC
InChIInChI=1S/C16H15ClO4/c1-19-15-7-6-11(8-16(15)20-2)10-21-14-5-3-4-13(17)12(14)9-18/h3-9H,10H2,1-2H3
InChIKeyCYMDHMROLLLLGI-UHFFFAOYSA-N
XLogP3.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-chlorophenoxy)methyl]-1,2-dimethoxybenzene
CID 64763618
2-chloro-6-[(4-chlorophenyl)methoxy]benzaldehyde
CID 60791930
tert-butyl 2-[3-[(3-chloro-2-formylphenoxy)methyl]phenyl]acetate
CID 167532262
2-chloro-6-(4-methoxybutoxy)benzaldehyde
CID 104647699
2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 54919221
2-chloro-6-[(2,5-diethylphenoxy)methyl]benzaldehyde
CID 87530656
3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 115955681
2-chloro-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]benzaldehyde
CID 66156027
2-chloro-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]benzaldehyde
CID 60792234
3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 876941
3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde
CID 11484837
2-chloro-6-(2-ethylsulfonylethoxy)benzaldehyde
CID 60790501

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3,4-dimethoxyphenyl)methoxy]benzaldehyde?
The IUPAC name of 2-chloro-6-[(3,4-dimethoxyphenyl)methoxy]benzaldehyde (CID 60790504) is 2-chloro-6-[(3,4-dimethoxyphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 2-chloro-6-[(3,4-dimethoxyphenyl)methoxy]benzaldehyde?
The canonical SMILES for 2-chloro-6-[(3,4-dimethoxyphenyl)methoxy]benzaldehyde is COc1ccc(COc2cccc(Cl)c2C=O)cc1OC.
What is the InChIKey of 2-chloro-6-[(3,4-dimethoxyphenyl)methoxy]benzaldehyde?
The InChIKey is CYMDHMROLLLLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO4/c1-19-15-7-6-11(8-16(15)20-2)10-21-14-5-3-4-13(17)12(14)9-18/h3-9H,10H2,1-2H3.
What are the key properties of 2-chloro-6-[(3,4-dimethoxyphenyl)methoxy]benzaldehyde?
2-chloro-6-[(3,4-dimethoxyphenyl)methoxy]benzaldehyde has a molecular weight of 306.75 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3,4-dimethoxyphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 60790504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).