(E)-6-[(4-methoxyphenyl)methoxy]hex-3-en-2-one

C14H18O3 — CID 10752160

IUPAC(E)-6-[(4-methoxyphenyl)methoxy]hex-3-en-2-one
SMILESCOc1ccc(COCC/C=C/C(C)=O)cc1
InChIInChI=1S/C14H18O3/c1-12(15)5-3-4-10-17-11-13-6-8-14(16-2)9-7-13/h3,5-9H,4,10-11H2,1-2H3/b5-3+
InChIKeyYJHWRVBUPJRQJK-HWKANZROSA-N
MW234.29 g/mol
LogP2.75
Rot. Bonds7

About (E)-6-[(4-methoxyphenyl)methoxy]hex-3-en-2-one

(E)-6-[(4-methoxyphenyl)methoxy]hex-3-en-2-one (PubChem CID 10752160) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is (E)-6-[(4-methoxyphenyl)methoxy]hex-3-en-2-one.

Molecular Properties

Compound Name(E)-6-[(4-methoxyphenyl)methoxy]hex-3-en-2-one
PubChem CID10752160
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name(E)-6-[(4-methoxyphenyl)methoxy]hex-3-en-2-one
SMILESCOc1ccc(COCC/C=C/C(C)=O)cc1
InChIInChI=1S/C14H18O3/c1-12(15)5-3-4-10-17-11-13-6-8-14(16-2)9-7-13/h3,5-9H,4,10-11H2,1-2H3/b5-3+
InChIKeyYJHWRVBUPJRQJK-HWKANZROSA-N
XLogP2.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E,4E)-9-[(4-methoxyphenyl)methoxy]nona-2,4-dienoate
CID 72700869
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CID 102074732
ethyl (2E,4Z)-4-iodo-7-[(4-methoxyphenyl)methoxy]hepta-2,4-dienoate
CID 24900139
1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
14-[(4-methoxyphenyl)methoxy]tetradecanal
CID 25186279
1-methoxy-4-[[(3E)-4-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylhepta-3,6-dienoxy]methyl]benzene
CID 101454627
5-[(4-methoxyphenyl)methoxy]pentanehydrazide
CID 63575038
(E)-6-[(4-methoxyphenyl)methoxy]-3,3-dimethylhex-4-en-2-one
CID 58932908
4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenol
CID 22157586
1-[[(Z)-3-iodoprop-2-enoxy]methyl]-4-methoxybenzene
CID 57408009
(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
(3E,5Z)-8-[(4-methoxyphenyl)methoxy]-5-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-methylocta-3,5-dien-1-ol
CID 101399709

Frequently Asked Questions

What is the IUPAC name of (E)-6-[(4-methoxyphenyl)methoxy]hex-3-en-2-one?
The IUPAC name of (E)-6-[(4-methoxyphenyl)methoxy]hex-3-en-2-one (CID 10752160) is (E)-6-[(4-methoxyphenyl)methoxy]hex-3-en-2-one.
What is the SMILES notation for (E)-6-[(4-methoxyphenyl)methoxy]hex-3-en-2-one?
The canonical SMILES for (E)-6-[(4-methoxyphenyl)methoxy]hex-3-en-2-one is COc1ccc(COCC/C=C/C(C)=O)cc1.
What is the InChIKey of (E)-6-[(4-methoxyphenyl)methoxy]hex-3-en-2-one?
The InChIKey is YJHWRVBUPJRQJK-HWKANZROSA-N. The full InChI is InChI=1S/C14H18O3/c1-12(15)5-3-4-10-17-11-13-6-8-14(16-2)9-7-13/h3,5-9H,4,10-11H2,1-2H3/b5-3+.
What are the key properties of (E)-6-[(4-methoxyphenyl)methoxy]hex-3-en-2-one?
(E)-6-[(4-methoxyphenyl)methoxy]hex-3-en-2-one has a molecular weight of 234.29 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[(4-methoxyphenyl)methoxy]hex-3-en-2-one is sourced from PubChem (CID 10752160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).