4-Methoxybiphenyl
PubChem CID: 11943
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| Compound Synonyms | 4-METHOXYBIPHENYL, 613-37-6, 4-Phenylanisole, 4-Methoxy-1,1'-biphenyl, p-Methoxybiphenyl, Anisole, p-phenyl-, 1,1'-Biphenyl, 4-methoxy-, p-Phenylanisole, 4-Methoxy-biphenyl, 1-methoxy-4-phenylbenzene, Biphenyl, 4-methoxy, HSDB 5502, NSC 3793, EINECS 210-339-8, 036WEA2OUD, MFCD00014897, BRN 2043157, AI3-00228, NSC-3793, UNII-036WEA2OUD, DTXSID2060620, 4-06-00-04600 (Beilstein Handbook Reference), pPhenylanisole, pMethoxybiphenyl, 4Phenylanisole, Anisole, pphenyl, 4-Methoxylbiphenyl, 4'-methoxybiphenyl, 4-methoxy biphenyl, Biphenyl, 4methoxy, 4-methoxy-1, 1, 4-methoxy-, 4Methoxy1,1'biphenyl, 1,1'Biphenyl, 4methoxy, 4-Methoxybiphenyl, 97%, WLN: 1OR DR, CBiol_000842, SCHEMBL291776, CHEMBL3800635, DTXCID0043000, SCHEMBL12015212, NSC3793, ICCB4_000138, STK735568, AKOS005067590, AC-18693, SY049585, DB-053846, CS-0106689, M0944, NS00034648, D84255 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(C2CCCCC2)CC1 |
| Np Classifier Class | p-Terphenyls |
| Deep Smiles | COcccccc6))cccccc6 |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCC(C2CCCCC2)CC1 |
| Classyfire Subclass | Biphenyls and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 153.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methoxy-4-phenylbenzene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 4.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H12O |
| Scaffold Graph Node Bond Level | c1ccc(-c2ccccc2)cc1 |
| Inchi Key | RHDYQUZYHZWTCI-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 4-methoxydiphenyl |
| Esol Class | Soluble |
| Functional Groups | cOC |
| Compound Name | 4-Methoxybiphenyl |
| Exact Mass | 184.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 184.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H12O/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3 |
| Smiles | COC1=CC=C(C=C1)C2=CC=CC=C2 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Terphenyls |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Dracunculus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700327