(2R)-2-[(4-methoxyphenyl)methoxy]propanal

C11H14O3 — CID 11138009

IUPAC(2R)-2-[(4-methoxyphenyl)methoxy]propanal
SMILESCOc1ccc(CO[C@H](C)C=O)cc1
InChIInChI=1S/C11H14O3/c1-9(7-12)14-8-10-3-5-11(13-2)6-4-10/h3-7,9H,8H2,1-2H3/t9-/m1/s1
InChIKeyWGFAJAYHGFVJAU-SECBINFHSA-N
MW194.23 g/mol
LogP1.80
Rot. Bonds5

About (2R)-2-[(4-methoxyphenyl)methoxy]propanal

(2R)-2-[(4-methoxyphenyl)methoxy]propanal (PubChem CID 11138009) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2R)-2-[(4-methoxyphenyl)methoxy]propanal.

Molecular Properties

Compound Name(2R)-2-[(4-methoxyphenyl)methoxy]propanal
PubChem CID11138009
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(2R)-2-[(4-methoxyphenyl)methoxy]propanal
SMILESCOc1ccc(CO[C@H](C)C=O)cc1
InChIInChI=1S/C11H14O3/c1-9(7-12)14-8-10-3-5-11(13-2)6-4-10/h3-7,9H,8H2,1-2H3/t9-/m1/s1
InChIKeyWGFAJAYHGFVJAU-SECBINFHSA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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'}

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Related Compounds

(2S,3S)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 11118487
(E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-ol
CID 56926948
1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene
CID 66849270
1-(1-bromoethoxymethyl)-4-methoxybenzene
CID 56989997
(2R)-2-cyclohexyl-2-[(4-methoxyphenyl)methoxy]acetaldehyde
CID 11230796
(2R)-2-(4-methoxyphenoxy)propanal
CID 53381044
ethyl (Z,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-enoate
CID 53380978
1-methoxy-4-(1-methylsulfanylethoxymethyl)benzene
CID 146253972
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
(2R,3S)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethylocta-5,7-dienal
CID 91499523
(E,4S,5S)-5-[(4-methoxyphenyl)methoxy]-4,6-dimethylhept-2-enal
CID 11346435
(Z,2S)-2-[(4-methoxyphenyl)methoxy]hex-4-en-3-one
CID 121458348

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methoxyphenyl)methoxy]propanal?
The IUPAC name of (2R)-2-[(4-methoxyphenyl)methoxy]propanal (CID 11138009) is (2R)-2-[(4-methoxyphenyl)methoxy]propanal.
What is the SMILES notation for (2R)-2-[(4-methoxyphenyl)methoxy]propanal?
The canonical SMILES for (2R)-2-[(4-methoxyphenyl)methoxy]propanal is COc1ccc(CO[C@H](C)C=O)cc1.
What is the InChIKey of (2R)-2-[(4-methoxyphenyl)methoxy]propanal?
The InChIKey is WGFAJAYHGFVJAU-SECBINFHSA-N. The full InChI is InChI=1S/C11H14O3/c1-9(7-12)14-8-10-3-5-11(13-2)6-4-10/h3-7,9H,8H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-[(4-methoxyphenyl)methoxy]propanal?
(2R)-2-[(4-methoxyphenyl)methoxy]propanal has a molecular weight of 194.23 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methoxyphenyl)methoxy]propanal is sourced from PubChem (CID 11138009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).