(Z)-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enal

C14H18O3 — CID 10657341

IUPAC(Z)-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enal
SMILESCOc1ccc(COCC(C)/C=C\C=O)cc1
InChIInChI=1S/C14H18O3/c1-12(4-3-9-15)10-17-11-13-5-7-14(16-2)8-6-13/h3-9,12H,10-11H2,1-2H3/b4-3-
InChIKeyIZDAOYVOTJZWPZ-ARJAWSKDSA-N
MW234.30 g/mol
LogP2.60
Rot. Bonds7

About (Z)-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enal

(Z)-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enal (PubChem CID 10657341) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is (Z)-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enal.

Molecular Properties

Compound Name(Z)-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enal
PubChem CID10657341
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name(Z)-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enal
SMILESCOc1ccc(COCC(C)/C=C\C=O)cc1
InChIInChI=1S/C14H18O3/c1-12(4-3-9-15)10-17-11-13-5-7-14(16-2)8-6-13/h3-9,12H,10-11H2,1-2H3/b4-3-
InChIKeyIZDAOYVOTJZWPZ-ARJAWSKDSA-N
XLogP2.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-[[(2S)-2-methylhexa-3,5-dienoxy]methyl]benzene
CID 91404007
1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene
CID 71377965
(2R,3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 10491992
(E,4S,5S)-5-[(4-methoxyphenyl)methoxy]-4,6-dimethylhept-2-enal
CID 11346435
(E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol
CID 11010385
(E,2R,5S)-1-[(4-methoxyphenyl)methoxy]-5-methylhept-3-en-2-ol
CID 10084181
1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one
CID 58822506
(E,2S)-4-iodo-1-[(4-methoxyphenyl)methoxy]but-3-en-2-ol
CID 56651391
(2R)-2-[(4-methoxyphenyl)methoxy]propanal
CID 11138009
tris[(1R)-1-chloro-2-[(4-methoxyphenyl)methoxy]ethyl] borate
CID 68977646
5-(3-methoxyphenyl)-4-methylpent-2-enal
CID 173433665
(4S,5S)-4-[(Z,2S,5S)-6-[(4-methoxyphenyl)methoxy]-5-methylhex-3-en-2-yl]-5-[(2S)-1-[(4-methoxyphenyl)methoxy]propan-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 10874918

Frequently Asked Questions

What is the IUPAC name of (Z)-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enal?
The IUPAC name of (Z)-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enal (CID 10657341) is (Z)-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enal.
What is the SMILES notation for (Z)-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enal?
The canonical SMILES for (Z)-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enal is COc1ccc(COCC(C)/C=C\C=O)cc1.
What is the InChIKey of (Z)-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enal?
The InChIKey is IZDAOYVOTJZWPZ-ARJAWSKDSA-N. The full InChI is InChI=1S/C14H18O3/c1-12(4-3-9-15)10-17-11-13-5-7-14(16-2)8-6-13/h3-9,12H,10-11H2,1-2H3/b4-3-.
What are the key properties of (Z)-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enal?
(Z)-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enal has a molecular weight of 234.30 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enal is sourced from PubChem (CID 10657341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).