3-[(4-methoxyphenyl)methoxy]propanal

C11H14O3 — CID 10997887

IUPAC3-[(4-methoxyphenyl)methoxy]propanal
SMILESCOc1ccc(COCCC=O)cc1
InChIInChI=1S/C11H14O3/c1-13-11-5-3-10(4-6-11)9-14-8-2-7-12/h3-7H,2,8-9H2,1H3
InChIKeyGRLZQMWIFNOFIM-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.80
Rot. Bonds6

About 3-[(4-methoxyphenyl)methoxy]propanal

3-[(4-methoxyphenyl)methoxy]propanal (PubChem CID 10997887) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methoxy]propanal.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methoxy]propanal
PubChem CID10997887
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name3-[(4-methoxyphenyl)methoxy]propanal
SMILESCOc1ccc(COCCC=O)cc1
InChIInChI=1S/C11H14O3/c1-13-11-5-3-10(4-6-11)9-14-8-2-7-12/h3-7H,2,8-9H2,1H3
InChIKeyGRLZQMWIFNOFIM-UHFFFAOYSA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methoxy]propanal?
The IUPAC name of 3-[(4-methoxyphenyl)methoxy]propanal (CID 10997887) is 3-[(4-methoxyphenyl)methoxy]propanal.
What is the SMILES notation for 3-[(4-methoxyphenyl)methoxy]propanal?
The canonical SMILES for 3-[(4-methoxyphenyl)methoxy]propanal is COc1ccc(COCCC=O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methoxy]propanal?
The InChIKey is GRLZQMWIFNOFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-13-11-5-3-10(4-6-11)9-14-8-2-7-12/h3-7H,2,8-9H2,1H3.
What are the key properties of 3-[(4-methoxyphenyl)methoxy]propanal?
3-[(4-methoxyphenyl)methoxy]propanal has a molecular weight of 194.23 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methoxy]propanal is sourced from PubChem (CID 10997887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).