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Foeniculin, (E)-

PubChem CID: 5316879

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Compound Synonyms Foeniculin, (E)-, Foeniculin, 78259-41-3, (E)-Foeniculin, UNII-QO3391G00A, QO3391G00A, 1-(3-methylbut-2-enoxy)-4-[(E)-prop-1-enyl]benzene, FOENICULIN (ETHER), FOENICULIN [USP-RS], DTXSID20228921, FOENICULIN (USP-RS), BENZENE, 1-((3-METHYL-2-BUTENYL)OXY)-4-(1E)-1-PROPENYL-, BENZENE, 1-((3-METHYL-2-BUTEN-1-YL)OXY)-4-(1E)-1-PROPEN-1-YL-, BENZENE, 1-((3-METHYL-2-BUTENYL)OXY)-4-(1-PROPENYL)-, (E)-, Benzene, 1-[(3-methyl-2-buten-1-yl)oxy]-4-(1E)-1-propen-1-yl-, 1-(3-Methyl-2-butenoxy)-4-(1-propenyl)benzene, 3,3-Dimethyl allyl-p-propenyl phenyl ether, DTXCID70151412, CHEBI:228997, JGELFJUQMIUNOO-SNAWJCMRSA-N, Benzene, 1-(3-methyl-2-butenoxy)-4-(1-propenyl)-, Q27287387, 1-[(3-Methyl-2-butenyl)oxy]-4-[(1E)-1-propenyl]benzene #, (E)-1-((3-Methylbut-2-en-1-yl)oxy)-4-(prop-1-en-1-yl)benzene
Topological Polar Surface Area 9.2
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 15.0
Isotope Atom Count 0.0
Molecular Complexity 215.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 1-(3-methylbut-2-enoxy)-4-[(E)-prop-1-enyl]benzene
Prediction Hob 1.0
Xlogp 4.4
Molecular Formula C14H18O
Prediction Swissadme 0.0
Inchi Key JGELFJUQMIUNOO-SNAWJCMRSA-N
Fcsp3 0.2857142857142857
Logs -2.251
Rotatable Bond Count 4.0
Logd 0.859
Compound Name Foeniculin, (E)-
Prediction Hob Swissadme 0.0
Exact Mass 202.136
Formal Charge 0.0
Monoisotopic Mass 202.136
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 202.29
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -3.8982413999999994
Inchi InChI=1S/C14H18O/c1-4-5-13-6-8-14(9-7-13)15-11-10-12(2)3/h4-10H,11H2,1-3H3/b5-4+
Smiles C/C=C/C1=CC=C(C=C1)OCC=C(C)C
Nring 4.0
Defined Bond Stereocenter Count 1.0