(Z)-1-(4-methoxyphenoxy)hex-4-en-2-ol

C13H18O3 — CID 11843754

IUPAC(Z)-1-(4-methoxyphenoxy)hex-4-en-2-ol
SMILESC/C=C\CC(O)COc1ccc(OC)cc1
InChIInChI=1S/C13H18O3/c1-3-4-5-11(14)10-16-13-8-6-12(15-2)7-9-13/h3-4,6-9,11,14H,5,10H2,1-2H3/b4-3-
InChIKeyWDXIKNFEENEQGQ-ARJAWSKDSA-N
MW222.28 g/mol
LogP2.40
Rot. Bonds6

About (Z)-1-(4-methoxyphenoxy)hex-4-en-2-ol

(Z)-1-(4-methoxyphenoxy)hex-4-en-2-ol (PubChem CID 11843754) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (Z)-1-(4-methoxyphenoxy)hex-4-en-2-ol.

Molecular Properties

Compound Name(Z)-1-(4-methoxyphenoxy)hex-4-en-2-ol
PubChem CID11843754
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(Z)-1-(4-methoxyphenoxy)hex-4-en-2-ol
SMILESC/C=C\CC(O)COc1ccc(OC)cc1
InChIInChI=1S/C13H18O3/c1-3-4-5-11(14)10-16-13-8-6-12(15-2)7-9-13/h3-4,6-9,11,14H,5,10H2,1-2H3/b4-3-
InChIKeyWDXIKNFEENEQGQ-ARJAWSKDSA-N
XLogP2.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (E,5R)-5-hydroxy-6-(4-methoxyphenoxy)hex-2-enoate
CID 134916379
[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-propan-2-ylazanium
CID 6922817
1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318
1-(4-methoxyphenoxy)tetradecan-2-ol
CID 59993706
1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 559347
1-(4-methoxyphenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635112
1-azido-3-(4-methoxyphenoxy)propan-2-ol
CID 71340918
1-anilino-3-(4-methoxyphenoxy)propan-2-ol
CID 45153561
1-(dicyclohexylamino)-3-(4-methoxyphenoxy)propan-2-ol chloride
CID 53314392
4-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]butan-2-ol
CID 64913738
1-(but-2-ynylamino)-3-(4-methoxyphenoxy)propan-2-ol
CID 113464600
1-[4-(2,3-dihydroxypropoxy)phenyl]-3-(4-methoxyphenyl)propane-1,3-dione
CID 139606541

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-methoxyphenoxy)hex-4-en-2-ol?
The IUPAC name of (Z)-1-(4-methoxyphenoxy)hex-4-en-2-ol (CID 11843754) is (Z)-1-(4-methoxyphenoxy)hex-4-en-2-ol.
What is the SMILES notation for (Z)-1-(4-methoxyphenoxy)hex-4-en-2-ol?
The canonical SMILES for (Z)-1-(4-methoxyphenoxy)hex-4-en-2-ol is C/C=C\CC(O)COc1ccc(OC)cc1.
What is the InChIKey of (Z)-1-(4-methoxyphenoxy)hex-4-en-2-ol?
The InChIKey is WDXIKNFEENEQGQ-ARJAWSKDSA-N. The full InChI is InChI=1S/C13H18O3/c1-3-4-5-11(14)10-16-13-8-6-12(15-2)7-9-13/h3-4,6-9,11,14H,5,10H2,1-2H3/b4-3-.
What are the key properties of (Z)-1-(4-methoxyphenoxy)hex-4-en-2-ol?
(Z)-1-(4-methoxyphenoxy)hex-4-en-2-ol has a molecular weight of 222.28 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-methoxyphenoxy)hex-4-en-2-ol is sourced from PubChem (CID 11843754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).