1-Tetralone
PubChem CID: 10724
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1-TETRALONE, 529-34-0, alpha-Tetralone, 3,4-dihydronaphthalen-1(2H)-one, 3,4-Dihydro-2H-naphthalen-1-one, 1,2,3,4-Tetrahydronaphthalen-1-one, tetralone, 3,4-Dihydro-1(2H)-naphthalenone, 3,4-Dihydronaphthalen-1-one, a-Tetralone, 1-Oxotetralin, .alpha.-Tetralone, 1(2H)-Naphthalenone, 3,4-dihydro-, 29059-07-2, MFCD00001688, NSC 5171, 1,2,3,4-Tetrahydro-1-naphthalenone, HSDB 5678, 2,3,4-trihydronaphthalen-1-one, EINECS 208-460-6, BRN 0607374, 6VT52A15HY, DTXSID2027175, AI3-19569, NSC-5171, CHEMBL193373, DTXCID007175, 1,2,3,4-Tetrahydronaphthalone, 3,4-DIHYDRONAPHTHALENONE, 4-07-00-01015 (Beilstein Handbook Reference), CYCLOHEXENE,1-ONE,2,3-BENZO, alphatetralone, UNII-6VT52A15HY, alpha tetralone, 1Oxotetralin, alpha -tetralone, EINECS 249-394-8, alpha-Tetralone, 97%, 3,4Dihydro2Hnaphthalen1one, SCHEMBL44545, WLN: L66 BVT&J, 3,4Dihydro1(2H)naphthalenone, 3,4-dihydro-2H-naphth-1-one, NSC5171, 1(2H)Naphthalenone, 3,4dihydro, 1,2,3,4Tetrahydronaphthalen1one, 3,4-dihydro-1(2H)naphthalenone, 3,4-dihydro-1(2H)-napthalenone, DTXSID501053287, 1,3,4-Tetrahydronaphthalen-1-one, CS-D0598, STR03237, 3,4-Dihydro-1(2H)-naphthaleneone, 3,4-dihydro-1-(2h)-naphthalenone, Tox21_200446, 3,4-Dihydronaphthalen-1-(2H)-one, BBL027352, BDBM50159254, HY-76194A, STK400014, 1,2,3,4-tetrahydronaphthalene-1-one, AKOS000119475, 1,2,3,4-Tetrahydro-1-oxonaphthalene, 1-Oxo-1,2,3,4-tetrahydronaphthalene, AC-6869, PB47531, NCGC00248620-01, NCGC00258000-01, CAS-529-34-0, SY001538, alpha-Tetralone, purum, >=96.0% (GC), DB-000666, CS-0226151, NS00001796, T0134, EN300-20133, P16483, Q522228, doi:10.14272/XHLHPRDBBAGVEG-UHFFFAOYSA-N.1, F0001-1364, Z104477014, 208-460-6 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCC2CCCCC12 |
| Deep Smiles | O=CCCCcc6cccc6 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Tetralins |
| Scaffold Graph Node Level | OC1CCCC2CCCCC12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 162.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4-dihydro-2H-naphthalen-1-one |
| Class | Tetralins |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.0 |
| Superclass | Benzenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H10O |
| Scaffold Graph Node Bond Level | O=C1CCCc2ccccc21 |
| Inchi Key | XHLHPRDBBAGVEG-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | a-Tetralone, Α-tetralone, alpha-tetralone, α-tetralone |
| Esol Class | Soluble |
| Functional Groups | cC(C)=O |
| Compound Name | 1-Tetralone |
| Kingdom | Organic compounds |
| Exact Mass | 146.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 146.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 146.19 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2 |
| Smiles | C1CC2=CC=CC=C2C(=O)C1 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Tetralins |
- 1. Outgoing r'ship
FOUND_INto/from Juglans Regia (Plant) Rel Props:Reference:ISBN:9788172362461; ISBN:9788185042138