5-chloro-3-methoxy-2-(2-phenoxyethoxy)benzaldehyde

C16H15ClO4 — CID 104665438

IUPAC5-chloro-3-methoxy-2-(2-phenoxyethoxy)benzaldehyde
SMILESCOc1cc(Cl)cc(C=O)c1OCCOc1ccccc1
InChIInChI=1S/C16H15ClO4/c1-19-15-10-13(17)9-12(11-18)16(15)21-8-7-20-14-5-3-2-4-6-14/h2-6,9-11H,7-8H2,1H3
InChIKeyRWGAJXOMCXOMDJ-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.62
Rot. Bonds7

About 5-chloro-3-methoxy-2-(2-phenoxyethoxy)benzaldehyde

5-chloro-3-methoxy-2-(2-phenoxyethoxy)benzaldehyde (PubChem CID 104665438) has the molecular formula C16H15ClO4 and a molecular weight of 306.75 g/mol. Its IUPAC name is 5-chloro-3-methoxy-2-(2-phenoxyethoxy)benzaldehyde.

Molecular Properties

Compound Name5-chloro-3-methoxy-2-(2-phenoxyethoxy)benzaldehyde
PubChem CID104665438
Molecular FormulaC16H15ClO4
Molecular Weight306.75 g/mol
Exact Mass306.07
IUPAC Name5-chloro-3-methoxy-2-(2-phenoxyethoxy)benzaldehyde
SMILESCOc1cc(Cl)cc(C=O)c1OCCOc1ccccc1
InChIInChI=1S/C16H15ClO4/c1-19-15-10-13(17)9-12(11-18)16(15)21-8-7-20-14-5-3-2-4-6-14/h2-6,9-11H,7-8H2,1H3
InChIKeyRWGAJXOMCXOMDJ-UHFFFAOYSA-N
XLogP3.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 104665527
5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxybenzaldehyde
CID 104665382
4-(4-chloro-2-formyl-6-methoxyphenoxy)-N,N-dimethylbutanamide
CID 104665290
3-(4-chloro-2-formyl-6-methoxyphenoxy)-2,2-dimethylpropanoic acid
CID 113438784
3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde
CID 22685612
(E)-3-[5-chloro-3-methoxy-2-(2-methoxyethoxy)phenyl]prop-2-enoic acid
CID 104666589
5-bromo-2-[2-(2,6-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 22683877
3-bromo-5-chloro-2-[2-(4-methylphenoxy)ethoxy]benzaldehyde
CID 20990408
5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzaldehyde
CID 104665448
5-bromo-3-methoxy-2-(3-phenylpropoxy)benzaldehyde
CID 20993049
5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde
CID 113438752
5-methyl-2-(2-phenoxyethoxy)benzaldehyde
CID 54794871

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methoxy-2-(2-phenoxyethoxy)benzaldehyde?
The IUPAC name of 5-chloro-3-methoxy-2-(2-phenoxyethoxy)benzaldehyde (CID 104665438) is 5-chloro-3-methoxy-2-(2-phenoxyethoxy)benzaldehyde.
What is the SMILES notation for 5-chloro-3-methoxy-2-(2-phenoxyethoxy)benzaldehyde?
The canonical SMILES for 5-chloro-3-methoxy-2-(2-phenoxyethoxy)benzaldehyde is COc1cc(Cl)cc(C=O)c1OCCOc1ccccc1.
What is the InChIKey of 5-chloro-3-methoxy-2-(2-phenoxyethoxy)benzaldehyde?
The InChIKey is RWGAJXOMCXOMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO4/c1-19-15-10-13(17)9-12(11-18)16(15)21-8-7-20-14-5-3-2-4-6-14/h2-6,9-11H,7-8H2,1H3.
What are the key properties of 5-chloro-3-methoxy-2-(2-phenoxyethoxy)benzaldehyde?
5-chloro-3-methoxy-2-(2-phenoxyethoxy)benzaldehyde has a molecular weight of 306.75 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methoxy-2-(2-phenoxyethoxy)benzaldehyde is sourced from PubChem (CID 104665438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).