3-(2-methoxy-5-phenylmethoxyphenyl)propanal

C17H18O3 — CID 71659859

IUPAC3-(2-methoxy-5-phenylmethoxyphenyl)propanal
SMILESCOc1ccc(OCc2ccccc2)cc1CCC=O
InChIInChI=1S/C17H18O3/c1-19-17-10-9-16(12-15(17)8-5-11-18)20-13-14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13H2,1H3
InChIKeyCVAZCCOAEJVIDC-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.41
Rot. Bonds7

About 3-(2-methoxy-5-phenylmethoxyphenyl)propanal

3-(2-methoxy-5-phenylmethoxyphenyl)propanal (PubChem CID 71659859) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(2-methoxy-5-phenylmethoxyphenyl)propanal.

Molecular Properties

Compound Name3-(2-methoxy-5-phenylmethoxyphenyl)propanal
PubChem CID71659859
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name3-(2-methoxy-5-phenylmethoxyphenyl)propanal
SMILESCOc1ccc(OCc2ccccc2)cc1CCC=O
InChIInChI=1S/C17H18O3/c1-19-17-10-9-16(12-15(17)8-5-11-18)20-13-14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13H2,1H3
InChIKeyCVAZCCOAEJVIDC-UHFFFAOYSA-N
XLogP3.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propanal
CID 71659035
3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanal
CID 134621524
2-(3-methylbut-2-enyl)-1,4-bis(phenylmethoxy)benzene
CID 11121904
CID 123516675
CID 123516675
(2-methoxy-5-phenylmethoxyphenyl)boronic acid
CID 75537210
2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde
CID 6709912
(E)-3-(2-methoxy-5-phenylmethoxyphenyl)prop-2-enoic acid
CID 11414899
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
3-[2,5-bis(phenylmethoxy)phenyl]propan-1-ol
CID 86006432

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-phenylmethoxyphenyl)propanal?
The IUPAC name of 3-(2-methoxy-5-phenylmethoxyphenyl)propanal (CID 71659859) is 3-(2-methoxy-5-phenylmethoxyphenyl)propanal.
What is the SMILES notation for 3-(2-methoxy-5-phenylmethoxyphenyl)propanal?
The canonical SMILES for 3-(2-methoxy-5-phenylmethoxyphenyl)propanal is COc1ccc(OCc2ccccc2)cc1CCC=O.
What is the InChIKey of 3-(2-methoxy-5-phenylmethoxyphenyl)propanal?
The InChIKey is CVAZCCOAEJVIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-19-17-10-9-16(12-15(17)8-5-11-18)20-13-14-6-3-2-4-7-14/h2-4,6-7,9-12H,5,8,13H2,1H3.
What are the key properties of 3-(2-methoxy-5-phenylmethoxyphenyl)propanal?
3-(2-methoxy-5-phenylmethoxyphenyl)propanal has a molecular weight of 270.33 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-phenylmethoxyphenyl)propanal is sourced from PubChem (CID 71659859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).