Benzene, (2-(1-ethoxyethoxy)ethyl)-
PubChem CID: 102849
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| Compound Synonyms | Ethyl phenethyl acetal, 2556-10-7, (2-(1-Ethoxyethoxy)ethyl)benzene, Efetaal, 2-(1-ethoxyethoxy)ethylbenzene, Hyacinth Body, [2-(1-Ethoxyethoxy)ethyl]benzene, Benzene, (2-(1-ethoxyethoxy)ethyl)-, Benzene, [2-(1-ethoxyethoxy)ethyl]-, 2-(1-Ethoxyethoxy)ethyl)benzene, Acetaldehyde, ethyl phenethyl acetal, Acetaldehyde ethyl 2-phenylethyl acetal, VEROTYL, Z7156Q4C3R, 1-(2-(((1-ethyloxy)ethyl)oxy)ethyl)benzene, Acetaldehyde ethyl phenylethyl acetal, EINECS 219-868-9, BRN 2364509, Benzene, 2-(1'-(ethoxy)ethoxy)ethyl-, Ethane, 1-ethoxy-1-(2-phenylethoxy)-, DTXSID6051930, 1-ethoxy-1-(2'-phenylethoxy)ethane, ETHANE, 1-ETHOXY-1-(PHENETHYLOXY)-, 3-06-00-01708 (Beilstein Handbook Reference), Ethylphenethylacetal, SCHEMBL585803, UNII-Z7156Q4C3R, DTXCID1030492, QQDGMPOYFGNLMT-UHFFFAOYSA-, Ethanal, ethyl phenylethyl acetal, HY-N1975, s9320, ETHYL PHENETHYL ACETAL [INCI], AKOS006274889, CCG-266540, FE74134, AC-34215, TS-08671, CS-0018295, NS00011930, Q27295092, 219-868-9, InChI=1/C12H18O2/c1-3-13-11(2)14-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CCOCOCCcccccc6)))))))))C |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 130.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1-ethoxyethoxy)ethylbenzene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H18O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | QQDGMPOYFGNLMT-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | hyacinth body |
| Esol Class | Soluble |
| Functional Groups | COC(C)OC |
| Compound Name | Benzene, (2-(1-ethoxyethoxy)ethyl)- |
| Exact Mass | 194.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 194.27 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H18O2/c1-3-13-11(2)14-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3 |
| Smiles | CCOC(C)OCCC1=CC=CC=C1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Difformis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1413956