(2R)-2-(4-methoxyphenoxy)propanal

C10H12O3 — CID 53381044

IUPAC(2R)-2-(4-methoxyphenoxy)propanal
SMILESCOc1ccc(O[C@H](C)C=O)cc1
InChIInChI=1S/C10H12O3/c1-8(7-11)13-10-5-3-9(12-2)4-6-10/h3-8H,1-2H3/t8-/m1/s1
InChIKeyFGLVVYNWRSMSHI-MRVPVSSYSA-N
MW180.20 g/mol
LogP1.66
Rot. Bonds4

About (2R)-2-(4-methoxyphenoxy)propanal

(2R)-2-(4-methoxyphenoxy)propanal (PubChem CID 53381044) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (2R)-2-(4-methoxyphenoxy)propanal.

Molecular Properties

Compound Name(2R)-2-(4-methoxyphenoxy)propanal
PubChem CID53381044
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(2R)-2-(4-methoxyphenoxy)propanal
SMILESCOc1ccc(O[C@H](C)C=O)cc1
InChIInChI=1S/C10H12O3/c1-8(7-11)13-10-5-3-9(12-2)4-6-10/h3-8H,1-2H3/t8-/m1/s1
InChIKeyFGLVVYNWRSMSHI-MRVPVSSYSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyphenoxy)propanal?
The IUPAC name of (2R)-2-(4-methoxyphenoxy)propanal (CID 53381044) is (2R)-2-(4-methoxyphenoxy)propanal.
What is the SMILES notation for (2R)-2-(4-methoxyphenoxy)propanal?
The canonical SMILES for (2R)-2-(4-methoxyphenoxy)propanal is COc1ccc(O[C@H](C)C=O)cc1.
What is the InChIKey of (2R)-2-(4-methoxyphenoxy)propanal?
The InChIKey is FGLVVYNWRSMSHI-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12O3/c1-8(7-11)13-10-5-3-9(12-2)4-6-10/h3-8H,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-2-(4-methoxyphenoxy)propanal?
(2R)-2-(4-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 (2R)-2-(4-methoxyphenoxy)propanal is sourced from PubChem (CID 53381044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).