4-[[2-(1,4-dioxan-2-yl)phenyl]methoxy]benzaldehyde

C18H18O4 — CID 57181740

IUPAC4-[[2-(1,4-dioxan-2-yl)phenyl]methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccccc2C2COCCO2)cc1
InChIInChI=1S/C18H18O4/c19-11-14-5-7-16(8-6-14)22-12-15-3-1-2-4-17(15)18-13-20-9-10-21-18/h1-8,11,18H,9-10,12-13H2
InChIKeyZPGXFOBDPRGDGJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.17
Rot. Bonds5

About 4-[[2-(1,4-dioxan-2-yl)phenyl]methoxy]benzaldehyde

4-[[2-(1,4-dioxan-2-yl)phenyl]methoxy]benzaldehyde (PubChem CID 57181740) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-[[2-(1,4-dioxan-2-yl)phenyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[[2-(1,4-dioxan-2-yl)phenyl]methoxy]benzaldehyde
PubChem CID57181740
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name4-[[2-(1,4-dioxan-2-yl)phenyl]methoxy]benzaldehyde
SMILESO=Cc1ccc(OCc2ccccc2C2COCCO2)cc1
InChIInChI=1S/C18H18O4/c19-11-14-5-7-16(8-6-14)22-12-15-3-1-2-4-17(15)18-13-20-9-10-21-18/h1-8,11,18H,9-10,12-13H2
InChIKeyZPGXFOBDPRGDGJ-UHFFFAOYSA-N
XLogP3.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-iodophenyl)methoxy]benzaldehyde
CID 162393344
2-(1,4-dioxan-2-yl)terephthalaldehyde
CID 139816650
4-[(2-methoxyphenyl)methoxy]benzaldehyde
CID 4129498
2-[2-[(4-tert-butylphenoxy)methyl]phenyl]-1,3-dioxolane
CID 67069163
4-[[2-(2-methylpropoxy)phenyl]methoxy]benzaldehyde
CID 87616141
2-(2-bromophenyl)-1,4,7,10-tetraoxacyclododecane
CID 619658
[4-(1,4-dioxan-2-yl)quinolin-2-yl]methyl formate
CID 175310261
2-anthracen-1-yl-1,4-dioxane
CID 87717766
4-[4-(oxiran-2-yl)butoxy]benzaldehyde
CID 147953263
4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde
CID 19038438
2-[2-[(2-ethylphenoxy)methyl]phenyl]-1,3-dioxolane
CID 67069160
2-[2-(1,4,7,10,13,16-hexaoxacyclooctadec-2-yl)phenyl]-1,3,2-dioxaborolane
CID 542514

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1,4-dioxan-2-yl)phenyl]methoxy]benzaldehyde?
The IUPAC name of 4-[[2-(1,4-dioxan-2-yl)phenyl]methoxy]benzaldehyde (CID 57181740) is 4-[[2-(1,4-dioxan-2-yl)phenyl]methoxy]benzaldehyde.
What is the SMILES notation for 4-[[2-(1,4-dioxan-2-yl)phenyl]methoxy]benzaldehyde?
The canonical SMILES for 4-[[2-(1,4-dioxan-2-yl)phenyl]methoxy]benzaldehyde is O=Cc1ccc(OCc2ccccc2C2COCCO2)cc1.
What is the InChIKey of 4-[[2-(1,4-dioxan-2-yl)phenyl]methoxy]benzaldehyde?
The InChIKey is ZPGXFOBDPRGDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c19-11-14-5-7-16(8-6-14)22-12-15-3-1-2-4-17(15)18-13-20-9-10-21-18/h1-8,11,18H,9-10,12-13H2.
What are the key properties of 4-[[2-(1,4-dioxan-2-yl)phenyl]methoxy]benzaldehyde?
4-[[2-(1,4-dioxan-2-yl)phenyl]methoxy]benzaldehyde has a molecular weight of 298.34 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1,4-dioxan-2-yl)phenyl]methoxy]benzaldehyde is sourced from PubChem (CID 57181740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).