Methoxy-4-propenylbenzene
PubChem CID: 7703
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| Compound Synonyms | p-(1-Propenyl)anisole, 4-(1-propenyl)anisole, Methoxy-4-propenylbenzene, 1-Methoxy-4-[1-propenyl]benzene #, (Z)-anethol, Spectrum_001629, SpecPlus_000644, Spectrum2_000538, Spectrum3_001109, Spectrum4_001950, KBioGR_002362, KBioSS_002109, 1-methoxy-4-propenyl-benzene, DivK1c_006740, SPBio_000555, CHEMBL3185908, KBio1_001684, KBio2_002109, KBio2_004677, KBio2_007245, KBio3_002038, 1-(1-Propenyl)-4-methoxybenzene, AKOS025243848, SY019737, 1-METHOXY-4-(L-PROPENYL)-BENZENE, NS00077155, Q27105777 |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 121.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methoxy-4-prop-1-enylbenzene |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C10H12O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RUVINXPYWBROJD-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.558 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.258 |
| Compound Name | Methoxy-4-propenylbenzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 148.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 148.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 148.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.109507363636363 |
| Inchi | InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3 |
| Smiles | CC=CC1=CC=C(C=C1)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Illicium Verum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all