3-(2,4-dimethoxy-5-phenylmethoxyphenyl)propanal

C18H20O4 — CID 71658250

IUPAC3-(2,4-dimethoxy-5-phenylmethoxyphenyl)propanal
SMILESCOc1cc(OC)c(OCc2ccccc2)cc1CCC=O
InChIInChI=1S/C18H20O4/c1-20-16-12-17(21-2)18(11-15(16)9-6-10-19)22-13-14-7-4-3-5-8-14/h3-5,7-8,10-12H,6,9,13H2,1-2H3
InChIKeyXGIWVBYXCMZVRP-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.41
Rot. Bonds8

About 3-(2,4-dimethoxy-5-phenylmethoxyphenyl)propanal

3-(2,4-dimethoxy-5-phenylmethoxyphenyl)propanal (PubChem CID 71658250) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 3-(2,4-dimethoxy-5-phenylmethoxyphenyl)propanal.

Molecular Properties

Compound Name3-(2,4-dimethoxy-5-phenylmethoxyphenyl)propanal
PubChem CID71658250
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name3-(2,4-dimethoxy-5-phenylmethoxyphenyl)propanal
SMILESCOc1cc(OC)c(OCc2ccccc2)cc1CCC=O
InChIInChI=1S/C18H20O4/c1-20-16-12-17(21-2)18(11-15(16)9-6-10-19)22-13-14-7-4-3-5-8-14/h3-5,7-8,10-12H,6,9,13H2,1-2H3
InChIKeyXGIWVBYXCMZVRP-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-methoxy-5-phenylmethoxyphenyl)propanal
CID 71659859
3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propanal
CID 71659035
(4,5-dimethoxy-2-phenylmethoxyphenyl)methanol
CID 53441132
1-ethyl-5-methoxy-4-phenylmethoxy-2-propan-2-ylbenzene
CID 121405987
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene
CID 12062736
1,4-dimethoxy-2,5-bis(2-phenylethyl)benzene
CID 102449129
1-iodo-4-methoxy-2-(nitrosomethyl)-5-phenylmethoxybenzene
CID 90921547
1-bromo-5-methoxy-2-(nitrosomethyl)-4-phenylmethoxybenzene
CID 126540380
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxy-5-phenylmethoxyphenyl)propanal?
The IUPAC name of 3-(2,4-dimethoxy-5-phenylmethoxyphenyl)propanal (CID 71658250) is 3-(2,4-dimethoxy-5-phenylmethoxyphenyl)propanal.
What is the SMILES notation for 3-(2,4-dimethoxy-5-phenylmethoxyphenyl)propanal?
The canonical SMILES for 3-(2,4-dimethoxy-5-phenylmethoxyphenyl)propanal is COc1cc(OC)c(OCc2ccccc2)cc1CCC=O.
What is the InChIKey of 3-(2,4-dimethoxy-5-phenylmethoxyphenyl)propanal?
The InChIKey is XGIWVBYXCMZVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-20-16-12-17(21-2)18(11-15(16)9-6-10-19)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-(2,4-dimethoxy-5-phenylmethoxyphenyl)propanal?
3-(2,4-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-(2,4-dimethoxy-5-phenylmethoxyphenyl)propanal is sourced from PubChem (CID 71658250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).