2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]benzaldehyde

C17H17ClO3 — CID 66528914

IUPAC2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]benzaldehyde
SMILESCCOc1cc(C=O)c(Cl)cc1OCc1ccc(C)cc1
InChIInChI=1S/C17H17ClO3/c1-3-20-16-8-14(10-19)15(18)9-17(16)21-11-13-6-4-12(2)5-7-13/h4-10H,3,11H2,1-2H3
InChIKeyTZERIEFCRFEHOF-UHFFFAOYSA-N
MW304.77 g/mol
LogP4.44
Rot. Bonds6

About 2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]benzaldehyde

2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]benzaldehyde (PubChem CID 66528914) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is 2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]benzaldehyde
PubChem CID66528914
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]benzaldehyde
SMILESCCOc1cc(C=O)c(Cl)cc1OCc1ccc(C)cc1
InChIInChI=1S/C17H17ClO3/c1-3-20-16-8-14(10-19)15(18)9-17(16)21-11-13-6-4-12(2)5-7-13/h4-10H,3,11H2,1-2H3
InChIKeyTZERIEFCRFEHOF-UHFFFAOYSA-N
XLogP4.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 54.44
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-chloro-5-ethoxy-4-phenylmethoxybenzaldehyde
CID 890667
5-chloro-2-[(4-methylphenyl)methoxy]benzaldehyde
CID 892242
N-[[2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 66531450
2-bromo-4-[(4-bromophenyl)methoxy]-5-ethoxybenzaldehyde
CID 21211263
2-[(4-methylphenyl)methoxy]benzaldehyde
CID 693304
5-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
CID 63529851
N-[[2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-(4-chlorophenyl)ethanamine
CID 66531453
3,5-dichloro-N-[[2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 66540699
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
2-hydroxy-3-[(4-methylphenyl)methoxy]benzaldehyde
CID 143713243
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 7139432

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]benzaldehyde?
The IUPAC name of 2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]benzaldehyde (CID 66528914) is 2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]benzaldehyde.
What is the SMILES notation for 2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]benzaldehyde?
The canonical SMILES for 2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]benzaldehyde is CCOc1cc(C=O)c(Cl)cc1OCc1ccc(C)cc1.
What is the InChIKey of 2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]benzaldehyde?
The InChIKey is TZERIEFCRFEHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-3-20-16-8-14(10-19)15(18)9-17(16)21-11-13-6-4-12(2)5-7-13/h4-10H,3,11H2,1-2H3.
What are the key properties of 2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]benzaldehyde?
2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]benzaldehyde has a molecular weight of 304.77 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]benzaldehyde is sourced from PubChem (CID 66528914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).