2-[4-methoxy-2-(methoxymethoxy)phenyl]-3-propoxybenzaldehyde

C19H22O5 — CID 22131273

IUPAC2-[4-methoxy-2-(methoxymethoxy)phenyl]-3-propoxybenzaldehyde
SMILESCCCOc1cccc(C=O)c1-c1ccc(OC)cc1OCOC
InChIInChI=1S/C19H22O5/c1-4-10-23-17-7-5-6-14(12-20)19(17)16-9-8-15(22-3)11-18(16)24-13-21-2/h5-9,11-12H,4,10,13H2,1-3H3
InChIKeyPEZHFMSUCVIMKE-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.95
Rot. Bonds9

About 2-[4-methoxy-2-(methoxymethoxy)phenyl]-3-propoxybenzaldehyde

2-[4-methoxy-2-(methoxymethoxy)phenyl]-3-propoxybenzaldehyde (PubChem CID 22131273) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[4-methoxy-2-(methoxymethoxy)phenyl]-3-propoxybenzaldehyde.

Molecular Properties

Compound Name2-[4-methoxy-2-(methoxymethoxy)phenyl]-3-propoxybenzaldehyde
PubChem CID22131273
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name2-[4-methoxy-2-(methoxymethoxy)phenyl]-3-propoxybenzaldehyde
SMILESCCCOc1cccc(C=O)c1-c1ccc(OC)cc1OCOC
InChIInChI=1S/C19H22O5/c1-4-10-23-17-7-5-6-14(12-20)19(17)16-9-8-15(22-3)11-18(16)24-13-21-2/h5-9,11-12H,4,10,13H2,1-3H3
InChIKeyPEZHFMSUCVIMKE-UHFFFAOYSA-N
XLogP3.95
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-methoxy-2-(methoxymethoxy)phenyl]-3-propoxybenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-2-(methoxymethoxy)phenyl]-3-propoxybenzaldehyde?
The IUPAC name of 2-[4-methoxy-2-(methoxymethoxy)phenyl]-3-propoxybenzaldehyde (CID 22131273) is 2-[4-methoxy-2-(methoxymethoxy)phenyl]-3-propoxybenzaldehyde.
What is the SMILES notation for 2-[4-methoxy-2-(methoxymethoxy)phenyl]-3-propoxybenzaldehyde?
The canonical SMILES for 2-[4-methoxy-2-(methoxymethoxy)phenyl]-3-propoxybenzaldehyde is CCCOc1cccc(C=O)c1-c1ccc(OC)cc1OCOC.
What is the InChIKey of 2-[4-methoxy-2-(methoxymethoxy)phenyl]-3-propoxybenzaldehyde?
The InChIKey is PEZHFMSUCVIMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-4-10-23-17-7-5-6-14(12-20)19(17)16-9-8-15(22-3)11-18(16)24-13-21-2/h5-9,11-12H,4,10,13H2,1-3H3.
What are the key properties of 2-[4-methoxy-2-(methoxymethoxy)phenyl]-3-propoxybenzaldehyde?
2-[4-methoxy-2-(methoxymethoxy)phenyl]-3-propoxybenzaldehyde has a molecular weight of 330.38 g/mol, XLogP of 3.95, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-2-(methoxymethoxy)phenyl]-3-propoxybenzaldehyde is sourced from PubChem (CID 22131273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).