Diphenylcyclopropenone
PubChem CID: 65057
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| Compound Synonyms | Diphenylcyclopropenone, 886-38-4, Diphencyprone, 2,3-Diphenylcycloprop-2-en-1-one, 2,3-Diphenylcycloprop-2-enone, 2,3-Diphenylcyclopropenone, 1,2-Diphenylcyclopropen-3-one, Cyclopropenone, diphenyl-, 2-Cyclopropen-1-one, 2,3-diphenyl-, 2,3-Diphenyl-2-cyclopropen-1-one, DPCP, Cyclopropenone, 2,3-diphenyl-, UNII-I7G14NW5EC, EINECS 212-948-4, MFCD00001311, NSC 57541, DTXSID2046545, CHEBI:53074, DIPHENYLCYCLOPENONE, NSC-57541, DIPHENCYPRONE [MI], I7G14NW5EC, DIPHENCYPRONE [MART.], DIPHENCYPRONE [WHO-DD], DTXCID0026545, NSC57541, NCGC00166113-01, DIPHENCYPRONE (MART.), CAS-886-38-4, SMR000449319, 2,3-Bis[(~2~H_5_)phenyl]cycloprop-2-en-1-one, diphenylcycloprop-2-en-1-one, 40736-43-4, CPD000449319, Maybridge1_002005, Cyclopropenone,3-diphenyl-, Epitope ID:113236, 2,3-diphenyl cyclopropenone, Diphenylcyclopropenone, 98%, MLS000758252, MLS001424007, SCHEMBL105663, CHEMBL1373467, HMS547D03, 2-Cyclopropen-1-one,3-diphenyl-, HMS2051I09, HMS2231A10, HMS3393I09, Tox21_112322, 2,3-Diphenyl-2-cyclopropene-1-one, 2,3-diphenyl-cycloprop-2-en-1-one, CCG-55613, GEO-01240, STK289679, AKOS005257686, Tox21_112322_1, CS-W015321, DB12173, FD06273, HY-W014605, NC00029, PS-4199, SB17263, NCGC00166113-02, NCGC00166113-04, SY061804, DB-364349, NS00039282, F17153, AD-310/30361065, Diphenylcyclopropenone, purum, >=98.0% (HPLC), Q5279743, SR-01000644630-1, BRD-K51730347-001-05-6, BRD-K51730347-001-06-4 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 284.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P02545, P42858, P10636, P51450, Q962Y6, P11473, P08659, P25094, O75496, Q9NUW8, n.a., P0DTD1, P10275, Q16236, Q03181, P04792, P05412 |
| Iupac Name | 2,3-diphenylcycloprop-2-en-1-one |
| Prediction Hob | 1.0 |
| Target Id | NPT483, NPT1197, NPT51 |
| Xlogp | 3.3 |
| Molecular Formula | C15H10O |
| Prediction Swissadme | 0.0 |
| Inchi Key | HCIBTBXNLVOFER-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.513 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.851 |
| Compound Name | Diphenylcyclopropenone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 206.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 206.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7531628 |
| Inchi | InChI=1S/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10H |
| Smiles | C1=CC=C(C=C1)C2=C(C2=O)C3=CC=CC=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Boswellia Carterii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cephalanthus Occidentalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Commiphora Myrrha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Cryptotaenia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Mosla Dianthera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Pandanus Tectorius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Pinus Koraiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Pinus Rigida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Valeriana Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all