(3R)-3-[(4-methoxyphenyl)methoxy]-3-phenylpropanal

C17H18O3 — CID 11448600

IUPAC(3R)-3-[(4-methoxyphenyl)methoxy]-3-phenylpropanal
SMILESCOc1ccc(CO[C@H](CC=O)c2ccccc2)cc1
InChIInChI=1S/C17H18O3/c1-19-16-9-7-14(8-10-16)13-20-17(11-12-18)15-5-3-2-4-6-15/h2-10,12,17H,11,13H2,1H3/t17-/m1/s1
InChIKeyWMWLAEHYXLKZKC-QGZVFWFLSA-N
MW270.33 g/mol
LogP3.54
Rot. Bonds7

About (3R)-3-[(4-methoxyphenyl)methoxy]-3-phenylpropanal

(3R)-3-[(4-methoxyphenyl)methoxy]-3-phenylpropanal (PubChem CID 11448600) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3R)-3-[(4-methoxyphenyl)methoxy]-3-phenylpropanal.

Molecular Properties

Compound Name(3R)-3-[(4-methoxyphenyl)methoxy]-3-phenylpropanal
PubChem CID11448600
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(3R)-3-[(4-methoxyphenyl)methoxy]-3-phenylpropanal
SMILESCOc1ccc(CO[C@H](CC=O)c2ccccc2)cc1
InChIInChI=1S/C17H18O3/c1-19-16-9-7-14(8-10-16)13-20-17(11-12-18)15-5-3-2-4-6-15/h2-10,12,17H,11,13H2,1H3/t17-/m1/s1
InChIKeyWMWLAEHYXLKZKC-QGZVFWFLSA-N
XLogP3.54
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 ≤ 53.54
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 (3R)-3-[(4-methoxyphenyl)methoxy]-3-phenylpropanal?
The IUPAC name of (3R)-3-[(4-methoxyphenyl)methoxy]-3-phenylpropanal (CID 11448600) is (3R)-3-[(4-methoxyphenyl)methoxy]-3-phenylpropanal.
What is the SMILES notation for (3R)-3-[(4-methoxyphenyl)methoxy]-3-phenylpropanal?
The canonical SMILES for (3R)-3-[(4-methoxyphenyl)methoxy]-3-phenylpropanal is COc1ccc(CO[C@H](CC=O)c2ccccc2)cc1.
What is the InChIKey of (3R)-3-[(4-methoxyphenyl)methoxy]-3-phenylpropanal?
The InChIKey is WMWLAEHYXLKZKC-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18O3/c1-19-16-9-7-14(8-10-16)13-20-17(11-12-18)15-5-3-2-4-6-15/h2-10,12,17H,11,13H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-3-[(4-methoxyphenyl)methoxy]-3-phenylpropanal?
(3R)-3-[(4-methoxyphenyl)methoxy]-3-phenylpropanal has a molecular weight of 270.33 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-methoxyphenyl)methoxy]-3-phenylpropanal is sourced from PubChem (CID 11448600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).