2-(3-propoxyphenoxy)acetaldehyde

C11H14O3 — CID 158555885

IUPAC2-(3-propoxyphenoxy)acetaldehyde
SMILESCCCOc1cccc(OCC=O)c1
InChIInChI=1S/C11H14O3/c1-2-7-13-10-4-3-5-11(9-10)14-8-6-12/h3-6,9H,2,7-8H2,1H3
InChIKeyGFCJMWIVHNESKI-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.05
Rot. Bonds6

About 2-(3-propoxyphenoxy)acetaldehyde

2-(3-propoxyphenoxy)acetaldehyde (PubChem CID 158555885) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(3-propoxyphenoxy)acetaldehyde.

Molecular Properties

Compound Name2-(3-propoxyphenoxy)acetaldehyde
PubChem CID158555885
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(3-propoxyphenoxy)acetaldehyde
SMILESCCCOc1cccc(OCC=O)c1
InChIInChI=1S/C11H14O3/c1-2-7-13-10-4-3-5-11(9-10)14-8-6-12/h3-6,9H,2,7-8H2,1H3
InChIKeyGFCJMWIVHNESKI-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
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

2-[3-(2-aminoethoxy)phenoxy]acetaldehyde
CID 163403817
2-(3-methoxyphenoxy)acetaldehyde
CID 15692237
4-(3-propoxyphenyl)but-3-enal
CID 170482159
2-(3-iodophenoxy)acetaldehyde
CID 54101837
methanamine;3-(2-oxoethoxy)benzaldehyde
CID 169139038
1-octoxy-3-prop-2-enoxybenzene
CID 14202237
(3-propoxyphenyl)borane
CID 137330417
ethane;1-(3-methylbutoxy)-3-propoxybenzene
CID 170603501
1,3-dihexadecoxybenzene
CID 12686834
trifluoro-(3-propoxyphenyl)boranuide
CID 63676814
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-propoxybenzamide
CID 22311435

Frequently Asked Questions

What is the IUPAC name of 2-(3-propoxyphenoxy)acetaldehyde?
The IUPAC name of 2-(3-propoxyphenoxy)acetaldehyde (CID 158555885) is 2-(3-propoxyphenoxy)acetaldehyde.
What is the SMILES notation for 2-(3-propoxyphenoxy)acetaldehyde?
The canonical SMILES for 2-(3-propoxyphenoxy)acetaldehyde is CCCOc1cccc(OCC=O)c1.
What is the InChIKey of 2-(3-propoxyphenoxy)acetaldehyde?
The InChIKey is GFCJMWIVHNESKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-7-13-10-4-3-5-11(9-10)14-8-6-12/h3-6,9H,2,7-8H2,1H3.
What are the key properties of 2-(3-propoxyphenoxy)acetaldehyde?
2-(3-propoxyphenoxy)acetaldehyde has a molecular weight of 194.23 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propoxyphenoxy)acetaldehyde is sourced from PubChem (CID 158555885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).