3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propanal

C18H20O4 — CID 71659035

IUPAC3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propanal
SMILESCOc1cc(CCC=O)cc(OCc2ccccc2)c1OC
InChIInChI=1S/C18H20O4/c1-20-16-11-15(9-6-10-19)12-17(18(16)21-2)22-13-14-7-4-3-5-8-14/h3-5,7-8,10-12H,6,9,13H2,1-2H3
InChIKeyRHTVPSRENWTAJZ-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.41
Rot. Bonds8

About 3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propanal

3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propanal (PubChem CID 71659035) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propanal.

Molecular Properties

Compound Name3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propanal
PubChem CID71659035
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propanal
SMILESCOc1cc(CCC=O)cc(OCc2ccccc2)c1OC
InChIInChI=1S/C18H20O4/c1-20-16-11-15(9-6-10-19)12-17(18(16)21-2)22-13-14-7-4-3-5-8-14/h3-5,7-8,10-12H,6,9,13H2,1-2H3
InChIKeyRHTVPSRENWTAJZ-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
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

3-(2,4-dimethoxy-5-phenylmethoxyphenyl)propanal
CID 71658250
5-(6-iodohex-3-enyl)-1,3-dimethoxy-2-phenylmethoxybenzene
CID 70579696
1-(3-methoxy-4-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 4049023
3-(2-methoxy-5-phenylmethoxyphenyl)propanal
CID 71659859
3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde
CID 57327464
1-[(3,4-dimethoxy-5-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386843
N-[2-[3-methoxy-4,5-bis(phenylmethoxy)phenyl]ethyl]-2-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 45047916
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine
CID 170869415
5-[(3,4-dimethoxy-5-phenylmethoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168598853
3-(5-formyl-3-methoxy-2-phenylmethoxyphenoxy)-5-methoxy-4-phenylmethoxybenzaldehyde
CID 102236097
3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde
CID 563706

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propanal?
The IUPAC name of 3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propanal (CID 71659035) is 3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propanal.
What is the SMILES notation for 3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propanal?
The canonical SMILES for 3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propanal is COc1cc(CCC=O)cc(OCc2ccccc2)c1OC.
What is the InChIKey of 3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propanal?
The InChIKey is RHTVPSRENWTAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-20-16-11-15(9-6-10-19)12-17(18(16)21-2)22-13-14-7-4-3-5-8-14/h3-5,7-8,10-12H,6,9,13H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propanal?
3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propanal has a molecular weight of 300.35 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propanal is sourced from PubChem (CID 71659035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).