3-[(4-ethoxyphenyl)methyl]-4-(methoxymethoxy)benzaldehyde

C18H20O4 — CID 86235410

IUPAC3-[(4-ethoxyphenyl)methyl]-4-(methoxymethoxy)benzaldehyde
SMILESCCOc1ccc(Cc2cc(C=O)ccc2OCOC)cc1
InChIInChI=1S/C18H20O4/c1-3-21-17-7-4-14(5-8-17)10-16-11-15(12-19)6-9-18(16)22-13-20-2/h4-9,11-12H,3,10,13H2,1-2H3
InChIKeyRCJUKLNNFQICFT-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.47
Rot. Bonds8

About 3-[(4-ethoxyphenyl)methyl]-4-(methoxymethoxy)benzaldehyde

3-[(4-ethoxyphenyl)methyl]-4-(methoxymethoxy)benzaldehyde (PubChem CID 86235410) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)methyl]-4-(methoxymethoxy)benzaldehyde.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)methyl]-4-(methoxymethoxy)benzaldehyde
PubChem CID86235410
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name3-[(4-ethoxyphenyl)methyl]-4-(methoxymethoxy)benzaldehyde
SMILESCCOc1ccc(Cc2cc(C=O)ccc2OCOC)cc1
InChIInChI=1S/C18H20O4/c1-3-21-17-7-4-14(5-8-17)10-16-11-15(12-19)6-9-18(16)22-13-20-2/h4-9,11-12H,3,10,13H2,1-2H3
InChIKeyRCJUKLNNFQICFT-UHFFFAOYSA-N
XLogP3.47
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(2-ethoxyethoxy)phenyl]methyl]-4-(methoxymethoxy)benzaldehyde
CID 87448764
3-[(4-ethoxyphenoxy)methyl]-4-(methoxymethoxy)benzaldehyde
CID 86235417
4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]benzaldehyde
CID 86235408
4-(methoxymethoxy)-3-[(4-methylsulfanylphenyl)methyl]benzaldehyde
CID 86235418
4-(methoxymethoxy)-3-[(4-methylsulfonylphenyl)methyl]benzaldehyde
CID 86235358
4-[2-(methoxymethoxy)ethoxy]-3-[(4-octoxyphenyl)methyl]benzaldehyde
CID 87449590
3,4-bis(methoxymethoxy)benzaldehyde
CID 11746314
4-ethoxy-3-ethylbenzaldehyde
CID 53410104
4-(methoxymethoxy)-3-(3-methylbut-2-enyl)benzaldehyde
CID 14559752
3-ethoxy-4-hydroxybenzaldehyde;(4-ethoxyphenyl)methanol
CID 175369176
4-fluoro-3-(methoxymethoxy)benzaldehyde
CID 23143885
4-(4-ethoxy-N-methylanilino)benzaldehyde
CID 12657169

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)methyl]-4-(methoxymethoxy)benzaldehyde?
The IUPAC name of 3-[(4-ethoxyphenyl)methyl]-4-(methoxymethoxy)benzaldehyde (CID 86235410) is 3-[(4-ethoxyphenyl)methyl]-4-(methoxymethoxy)benzaldehyde.
What is the SMILES notation for 3-[(4-ethoxyphenyl)methyl]-4-(methoxymethoxy)benzaldehyde?
The canonical SMILES for 3-[(4-ethoxyphenyl)methyl]-4-(methoxymethoxy)benzaldehyde is CCOc1ccc(Cc2cc(C=O)ccc2OCOC)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)methyl]-4-(methoxymethoxy)benzaldehyde?
The InChIKey is RCJUKLNNFQICFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-3-21-17-7-4-14(5-8-17)10-16-11-15(12-19)6-9-18(16)22-13-20-2/h4-9,11-12H,3,10,13H2,1-2H3.
What are the key properties of 3-[(4-ethoxyphenyl)methyl]-4-(methoxymethoxy)benzaldehyde?
3-[(4-ethoxyphenyl)methyl]-4-(methoxymethoxy)benzaldehyde has a molecular weight of 300.35 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)methyl]-4-(methoxymethoxy)benzaldehyde is sourced from PubChem (CID 86235410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).