2-chloro-5-ethoxy-4-phenylmethoxybenzaldehyde

C16H15ClO3 — CID 890667

IUPAC2-chloro-5-ethoxy-4-phenylmethoxybenzaldehyde
SMILESCCOc1cc(C=O)c(Cl)cc1OCc1ccccc1
InChIInChI=1S/C16H15ClO3/c1-2-19-15-8-13(10-18)14(17)9-16(15)20-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKeyJSMKDDFNSRHRCG-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.13
Rot. Bonds6

About 2-chloro-5-ethoxy-4-phenylmethoxybenzaldehyde

2-chloro-5-ethoxy-4-phenylmethoxybenzaldehyde (PubChem CID 890667) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-chloro-5-ethoxy-4-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name2-chloro-5-ethoxy-4-phenylmethoxybenzaldehyde
PubChem CID890667
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name2-chloro-5-ethoxy-4-phenylmethoxybenzaldehyde
SMILESCCOc1cc(C=O)c(Cl)cc1OCc1ccccc1
InChIInChI=1S/C16H15ClO3/c1-2-19-15-8-13(10-18)14(17)9-16(15)20-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKeyJSMKDDFNSRHRCG-UHFFFAOYSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.13
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-[(4-methylphenyl)methoxy]benzaldehyde
CID 66528914
2-(5-chloro-2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 2986839
2-chloro-4-ethyl-3-methyl-5-phenylmethoxybenzaldehyde
CID 91467417
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365
3-ethoxy-4-iodo-5-phenylmethoxybenzaldehyde
CID 22636947
benzyl N'-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]carbamimidothioate
CID 168613043
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
2-bromo-4-[(4-bromophenyl)methoxy]-5-ethoxybenzaldehyde
CID 21211263
2-chloro-3-methyl-4-phenylmethoxybenzaldehyde
CID 164892231
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]pentan-1-amine
CID 66530681
2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde
CID 71394668

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethoxy-4-phenylmethoxybenzaldehyde?
The IUPAC name of 2-chloro-5-ethoxy-4-phenylmethoxybenzaldehyde (CID 890667) is 2-chloro-5-ethoxy-4-phenylmethoxybenzaldehyde.
What is the SMILES notation for 2-chloro-5-ethoxy-4-phenylmethoxybenzaldehyde?
The canonical SMILES for 2-chloro-5-ethoxy-4-phenylmethoxybenzaldehyde is CCOc1cc(C=O)c(Cl)cc1OCc1ccccc1.
What is the InChIKey of 2-chloro-5-ethoxy-4-phenylmethoxybenzaldehyde?
The InChIKey is JSMKDDFNSRHRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-2-19-15-8-13(10-18)14(17)9-16(15)20-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3.
What are the key properties of 2-chloro-5-ethoxy-4-phenylmethoxybenzaldehyde?
2-chloro-5-ethoxy-4-phenylmethoxybenzaldehyde has a molecular weight of 290.75 g/mol, XLogP of 4.13, 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-phenylmethoxybenzaldehyde is sourced from PubChem (CID 890667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).