2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzaldehyde

C16H15ClO3 — CID 63324787

IUPAC2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzaldehyde
SMILESCOc1ccc(Cl)cc1COc1ccc(C)cc1C=O
InChIInChI=1S/C16H15ClO3/c1-11-3-5-16(12(7-11)9-18)20-10-13-8-14(17)4-6-15(13)19-2/h3-9H,10H2,1-2H3
InChIKeyXCMZRIKWFBDFST-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.05
Rot. Bonds5

About 2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzaldehyde

2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzaldehyde (PubChem CID 63324787) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzaldehyde.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzaldehyde
PubChem CID63324787
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzaldehyde
SMILESCOc1ccc(Cl)cc1COc1ccc(C)cc1C=O
InChIInChI=1S/C16H15ClO3/c1-11-3-5-16(12(7-11)9-18)20-10-13-8-14(17)4-6-15(13)19-2/h3-9H,10H2,1-2H3
InChIKeyXCMZRIKWFBDFST-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

5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]benzaldehyde
CID 60734242
2-[(2,5-dichlorophenyl)methoxy]-5-methylbenzaldehyde
CID 65317531
5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde
CID 63530846
2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzoic acid
CID 60711590
2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde
CID 65317291
5-chloro-2-[(4-methylphenyl)methoxy]benzaldehyde
CID 892242
4-chloro-2-[(2,5-dimethylphenoxy)methyl]benzaldehyde
CID 87257562
2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde
CID 55206091
5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde
CID 114844661
5-chloro-2-[2-(2,5-dimethylphenoxy)ethoxy]benzaldehyde
CID 20992054
2-[4-(2-formyl-4-methylphenoxy)butoxy]-5-methylbenzaldehyde
CID 51358055
(1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol
CID 63364418

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzaldehyde?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzaldehyde (CID 63324787) is 2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzaldehyde.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzaldehyde?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzaldehyde is COc1ccc(Cl)cc1COc1ccc(C)cc1C=O.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzaldehyde?
The InChIKey is XCMZRIKWFBDFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-11-3-5-16(12(7-11)9-18)20-10-13-8-14(17)4-6-15(13)19-2/h3-9H,10H2,1-2H3.
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzaldehyde?
2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzaldehyde 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 2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzaldehyde is sourced from PubChem (CID 63324787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).