Benzophenone
PubChem CID: 3102
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| Compound Synonyms | BENZOPHENONE, 119-61-9, diphenylmethanone, Diphenyl ketone, Methanone, diphenyl-, Benzoylbenzene, Phenyl ketone, Ketone, diphenyl, alpha-Oxoditane, Benzene, benzoyl-, alpha-Oxodiphenylmethane, Diphenylketone, diphenyl-methanone, Kayacure bp, .alpha.-Oxoditane, Adjutan 6016, FEMA No. 2134, .alpha.-Oxodiphenylmethane, Diphenyl-methanon, 1dzp, NSC 8077, MFCD00003076, DTXSID0021961, CHEMBL90039, 701M4TTV9O, Diphenylmethanone (Benzophenone), CHEBI:41308, NSC-8077, NCGC00090787-05, DTXCID101961, Caswell No. 081G, CAS-119-61-9, CCRIS 629, HSDB 6809, WLN: RVR, EINECS 204-337-6, EPA Pesticide Chemical Code 000315, BENZOPHENONE (8CI), phenylketone, UNII-701M4TTV9O, Benzopheneone, Benzophenon, benzophenone-, benzoyl-benzene, a-Oxoditane, AI3-00754, meta-benzophenone, alpha -oxoditane, FEMA 2134, di(phenyl)methanone, a-Oxodiphenylmethane, METHANONE, DIPHENYL- (9CI), Ph2CO, SPEEDCURE BP, DAROCUR BP, Diphenylmethanone, 9CI, Benzophenone (Standard), alpha -oxodiphenylmethane, Dimenhydrinate Impurity J, BENZOPHENONE [MI], BENZOPHENONE [FCC], UPCMLD-DP071, BENZOPHENONE [FHFI], BENZOPHENONE [HSDB], BENZOPHENONE [IARC], EC 204-337-6, BIDD:PXR0008, SCHEMBL17745, MLS001055400, ADK STAB 1413, BENZOPHENONE [USP-RS], BENZOPHENONE [WHO-DD], BIDD:ER0022, Benzophenone (diphenyl-ketone), Benzophenone (Diphenylmethanone), UPCMLD-DP071:001, BDBM22726, Benzophenone, analytical standard, DIPHENHYDRAMINE IMPURITY E, HY-Y0546R, NSC8077, HMS2268A24, BENZOPHENONE [USP IMPURITY], Benzophenone, >=99%, FCC, FG, HY-Y0546, Tox21_113465, Tox21_202425, Tox21_300058, Benzophenone, ReagentPlus(R), 99%, s4438, STL363250, Benzophenone, for synthesis, 98.0%, AKOS000119029, Tox21_113465_1, BENZOPHENONE (DIPHENYL-KETONE), DB01878, FB34691, Benzophenone, purum, >=99.0% (GC), Benzophenone, ReagentPlus(R), >=99%, NCGC00090787-01, NCGC00090787-03, NCGC00090787-04, NCGC00090787-06, NCGC00090787-07, NCGC00090787-08, NCGC00254183-01, NCGC00259974-01, BP-21212, SMR000112143, PHENYTOIN IMPURITY A [EP IMPURITY], Benzophenone, SAJ first grade, >=99.0%, DB-061602, B0083, CS-0015323, NS00010632, Benzophenone, purified by sublimation, >=99%, Benzophenone, Vetec(TM) reagent grade, 98%, EN300-19181, C06354, D72506, DIMENHYDRINATE IMPURITY J [EP IMPURITY], SBI-0647371.0001, PHENYTOIN SODIUM IMPURITY A [EP IMPURITY], Q409482, Melting point standard 47-49C, analytical standard, PHENYTOIN IMPURITY BENZOPHENONE [USP IMPURITY], F0001-0309, Z104473064, Benzophenone, European Pharmacopoeia (EP) Reference Standard, DIPHENHYDRAMINE HYDROCHLORIDE IMPURITY E [EP IMPURITY], Mettler-Toledo Calibration substance ME 18870, Benzophenone, PHENYTOIN SODIUM IMPURITY BENZOPHENONE [USP IMPURITY], Benzophenone, United States Pharmacopeia (USP) Reference Standard, HYDROCODONE HYDROGEN TARTRATE 2.5-HYDRATE IMPURITY H [EP IMPURITY], Benzophenone, Pharmaceutical Secondary Standard, Certified Reference Material, InChI=1/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10, Mettler-Toledo Calibration substance ME 18870, Benzophenone, for the calibration of the thermosystem 900, traceable to primary standards (LGC) |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC(C1CCCCC1)C1CCCCC1 |
| Np Classifier Class | Chalcones |
| Deep Smiles | O=Ccccccc6))))))cccccc6 |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | OC(C1CCCCC1)C1CCCCC1 |
| Classyfire Subclass | Benzophenones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 165.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O00748, P23141, P12337, P22303, P06276, P15207, P00784, P07858, P14902, P00352, P10828, P83916, P63092, P51449, P27695, n.a., P10275 |
| Iupac Name | diphenylmethanone |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Target Id | NPT214, NPT1078, NPT94 |
| Xlogp | 3.4 |
| Superclass | Benzenoids |
| Subclass | Benzophenones |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H10O |
| Scaffold Graph Node Bond Level | O=C(c1ccccc1)c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RWCCWEUUXYIKHB-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.0 |
| Logs | -3.181 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | 3.027 |
| Synonyms | alpha-Oxodiphenylmethane, alpha-Oxoditane, Benzoylbenzene, Diphenyl ketone, DIPHENYLMETHANONE, PH2CO, a-Oxodiphenylmethane, Α-oxodiphenylmethane, a-Oxoditane, Α-oxoditane, 1DZP, Adjutan 6016, ADK stab 1413, alpha -Oxodiphenylmethane, alpha -Oxoditane, Benzopheneone, BENZOPHENONE (8ci), Benzophenone (diphenyl-ketone), Benzoyl-benzene, BZQ, Di(phenyl)methanone, Diphenyl-methanon, Diphenyl-methanone, Diphenylketone, Diphenylmethanone, 9ci, FEMA 2134, Kayacure BP, Ketone, diphenyl, METHANONE, diphenyl- (9ci), Phenyl ketone, benzophenone |
| Esol Class | Soluble |
| Functional Groups | cC(c)=O |
| Compound Name | Benzophenone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 182.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 182.22 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -3.475462114285714 |
| Inchi | InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H |
| Smiles | C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Benzophenones |
| Np Classifier Superclass | Flavonoids |
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