3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]-5-ethylbenzaldehyde

C19H20O4 — CID 129211031

IUPAC3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]-5-ethylbenzaldehyde
SMILESCCc1cc(C=O)cc(OCc2ccc(C3OCCO3)cc2)c1
InChIInChI=1S/C19H20O4/c1-2-14-9-16(12-20)11-18(10-14)23-13-15-3-5-17(6-4-15)19-21-7-8-22-19/h3-6,9-12,19H,2,7-8,13H2,1H3
InChIKeyWOIQZPFDIDFNGD-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.69
Rot. Bonds6

About 3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]-5-ethylbenzaldehyde

3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]-5-ethylbenzaldehyde (PubChem CID 129211031) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]-5-ethylbenzaldehyde.

Molecular Properties

Compound Name3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]-5-ethylbenzaldehyde
PubChem CID129211031
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]-5-ethylbenzaldehyde
SMILESCCc1cc(C=O)cc(OCc2ccc(C3OCCO3)cc2)c1
InChIInChI=1S/C19H20O4/c1-2-14-9-16(12-20)11-18(10-14)23-13-15-3-5-17(6-4-15)19-21-7-8-22-19/h3-6,9-12,19H,2,7-8,13H2,1H3
InChIKeyWOIQZPFDIDFNGD-UHFFFAOYSA-N
XLogP3.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]-5-ethylbenzaldehyde?
The IUPAC name of 3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]-5-ethylbenzaldehyde (CID 129211031) is 3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]-5-ethylbenzaldehyde.
What is the SMILES notation for 3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]-5-ethylbenzaldehyde?
The canonical SMILES for 3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]-5-ethylbenzaldehyde is CCc1cc(C=O)cc(OCc2ccc(C3OCCO3)cc2)c1.
What is the InChIKey of 3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]-5-ethylbenzaldehyde?
The InChIKey is WOIQZPFDIDFNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-2-14-9-16(12-20)11-18(10-14)23-13-15-3-5-17(6-4-15)19-21-7-8-22-19/h3-6,9-12,19H,2,7-8,13H2,1H3.
What are the key properties of 3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]-5-ethylbenzaldehyde?
3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]-5-ethylbenzaldehyde has a molecular weight of 312.37 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]-5-ethylbenzaldehyde is sourced from PubChem (CID 129211031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).