5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]benzaldehyde

C16H15ClO3 — CID 60734242

IUPAC5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]benzaldehyde
SMILESCOc1ccc(C)cc1COc1ccc(Cl)cc1C=O
InChIInChI=1S/C16H15ClO3/c1-11-3-5-15(19-2)13(7-11)10-20-16-6-4-14(17)8-12(16)9-18/h3-9H,10H2,1-2H3
InChIKeyJTOKUVOZIKSGDA-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.05
Rot. Bonds5

About 5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]benzaldehyde

5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]benzaldehyde (PubChem CID 60734242) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]benzaldehyde
PubChem CID60734242
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]benzaldehyde
SMILESCOc1ccc(C)cc1COc1ccc(Cl)cc1C=O
InChIInChI=1S/C16H15ClO3/c1-11-3-5-15(19-2)13(7-11)10-20-16-6-4-14(17)8-12(16)9-18/h3-9H,10H2,1-2H3
InChIKeyJTOKUVOZIKSGDA-UHFFFAOYSA-N
XLogP4.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzaldehyde
CID 63324787
5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde
CID 63530846
2-[(2,5-dichlorophenyl)methoxy]-5-methylbenzaldehyde
CID 65317531
5-chloro-2-[(4-methylphenyl)methoxy]benzaldehyde
CID 892242
5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde
CID 114844661
5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde
CID 20992054
(1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol
CID 63364418
2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzoic acid
CID 60711590
2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde
CID 65317291
4-chloro-2-[(2,5-dimethylphenoxy)methyl]benzaldehyde
CID 87257562
2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde
CID 55206091
5-chloro-2-[(2,6-dimethyl-4-pyridinyl)methoxy]benzaldehyde;ethane
CID 142322438

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]benzaldehyde?
The IUPAC name of 5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]benzaldehyde (CID 60734242) is 5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]benzaldehyde?
The canonical SMILES for 5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]benzaldehyde is COc1ccc(C)cc1COc1ccc(Cl)cc1C=O.
What is the InChIKey of 5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]benzaldehyde?
The InChIKey is JTOKUVOZIKSGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-11-3-5-15(19-2)13(7-11)10-20-16-6-4-14(17)8-12(16)9-18/h3-9H,10H2,1-2H3.
What are the key properties of 5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]benzaldehyde?
5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]benzaldehyde has a molecular weight of 290.75 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 60734242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).