2-(2-methoxyphenoxy)propanal

C10H12O3 — CID 123413169

IUPAC2-(2-methoxyphenoxy)propanal
SMILESCOc1ccccc1OC(C)C=O
InChIInChI=1S/C10H12O3/c1-8(7-11)13-10-6-4-3-5-9(10)12-2/h3-8H,1-2H3
InChIKeyYLTZRUDNIZHOMX-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.66
Rot. Bonds4

About 2-(2-methoxyphenoxy)propanal

2-(2-methoxyphenoxy)propanal (PubChem CID 123413169) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)propanal.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)propanal
PubChem CID123413169
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-(2-methoxyphenoxy)propanal
SMILESCOc1ccccc1OC(C)C=O
InChIInChI=1S/C10H12O3/c1-8(7-11)13-10-6-4-3-5-9(10)12-2/h3-8H,1-2H3
InChIKeyYLTZRUDNIZHOMX-UHFFFAOYSA-N
XLogP1.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.66
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

Guaifenesin
CID 3516
Veratrole
CID 7043
Phenoxyacetic Acid
CID 19188
Guaiacyl acetate
CID 61155
Allyl phenoxyacetate
CID 24117
Sodium 2-(4-methoxyphenoxy)propanoate
CID 23670520
Phenoxyethyl propionate
CID 31954
Guaiacol propionate
CID 348502
Catechol diacetate
CID 12479
1-Ethoxy-2-methoxybenzene
CID 87170
2-Phenoxyethyl butanoate
CID 90136
Guaiacol isobutyrate
CID 836904

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)propanal?
The IUPAC name of 2-(2-methoxyphenoxy)propanal (CID 123413169) is 2-(2-methoxyphenoxy)propanal.
What is the SMILES notation for 2-(2-methoxyphenoxy)propanal?
The canonical SMILES for 2-(2-methoxyphenoxy)propanal is COc1ccccc1OC(C)C=O.
What is the InChIKey of 2-(2-methoxyphenoxy)propanal?
The InChIKey is YLTZRUDNIZHOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-8(7-11)13-10-6-4-3-5-9(10)12-2/h3-8H,1-2H3.
What are the key properties of 2-(2-methoxyphenoxy)propanal?
2-(2-methoxyphenoxy)propanal has a molecular weight of 180.20 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)propanal is sourced from PubChem (CID 123413169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).