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4-Octylphenol

PubChem CID: 15730

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Compound Synonyms 4-OCTYLPHENOL, 4-n-Octylphenol, 1806-26-4, Phenol, 4-octyl-, p-Octylphenol, Phenol, p-octyl-, para-Octylphenol, 1-(p-Hydroxyphenyl)octane, 4-Octyl-phenol, HSDB 5857, UNII-7DF2B8LH3P, EINECS 217-302-5, DTXSID9022312, CHEBI:34432, 4-OCTYLBENZOLOL, MFCD00036134, 7DF2B8LH3P, 4-OCTYLPHENOL [HSDB], MLS001055340, DTXCID902312, NCGC00090986-03, SMR000677939, 4-n-Octylphenol 10 microg/mL in Isooctane, 4-tert-Octylphenol, NSC 5427, NSC 7248, p-t-Octylphenol, p-tert-Octylphenol, paraOctylphenol, pOctylphenol, p-octyl phenol, Phenol, poctyl, 4-octyl phenol, Phenol, 4octyl, Phenol, 4-octyl, EINECS 276-174-9, pOctylphenol (VAN), 1(pHydroxyphenyl)octane, 4-Octylphenol, 99%, SCHEMBL18809, cid_15730, BIDD:ER0059, CHEMBL195437, BDBM74109, 4-Octylphenol, analytical standard, WZB81503, Tox21_400015, MSK000290, AKOS002685659, NCGC00090986-01, NCGC00090986-02, NCGC00090986-04, AS-40771, PD015564, CAS-1806-26-4, 1ST000290, CS-0196879, NS00008748, A812553, Q27116060
Topological Polar Surface Area 20.2
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 15.0
Isotope Atom Count 0.0
Molecular Complexity 136.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P15207, Q16236, P04637, P10828, P83916, P04150, P22303, P29274, P0DMS8, P08913, P18089, P18825, P23975, P23219, P35354, Q01959, P03372, P12530, P11229, P08172, P20309, P08912, Q16539, P00533, P06239, P31645, P21452, P24557, P08659, P19838, Q99700, Q77YF9, Q9NUW8, O75874, Q13148, Q8WZA2, P10275, Q03181, P04792, P05412
Iupac Name 4-octylphenol
Prediction Hob 1.0
Target Id NPT204, NPT217, NPT218, NPT222, NPT223, NPT224, NPT228, NPT30, NPT31, NPT246, NPT108, NPT262, NPT263, NPT264, NPT266, NPT283, NPT285, NPT13, NPT295, NPT298, NPT300
Xlogp 5.3
Molecular Formula C14H22O
Prediction Swissadme 0.0
Inchi Key NTDQQZYCCIDJRK-UHFFFAOYSA-N
Fcsp3 0.5714285714285714
Logs -4.117
Rotatable Bond Count 7.0
Logd 4.273
Compound Name 4-Octylphenol
Prediction Hob Swissadme 0.0
Exact Mass 206.167
Formal Charge 0.0
Monoisotopic Mass 206.167
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 206.32
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -4.241839799999999
Inchi InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3
Smiles CCCCCCCCC1=CC=C(C=C1)O
Nring 1.0
Defined Bond Stereocenter Count 0.0

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  • 24. Outgoing r'ship FOUND_IN to/from Vitis Vulpina (Plant) Rel Props:Reference:
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