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Anise alcohol

PubChem CID: 7738

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Compound Synonyms 4-METHOXYBENZYL ALCOHOL, 105-13-5, (4-Methoxyphenyl)methanol, Anisyl alcohol, Anise alcohol, p-Methoxybenzyl alcohol, p-Anisyl alcohol, Benzenemethanol, 4-methoxy-, Anisic alcohol, p-Anisol alcohol, 4-Methoxybenzenemethanol, Benzyl alcohol, p-methoxy-, Anis alcohol, Anisalcohol, p-, 4-Methoxybenzylalcohol, FEMA No. 2099, Anisyl alcohol (natural), NSC 2151, CCRIS 5111, 4-Anisylalcohol, EINECS 203-273-6, MFCD00004653, BRN 0636654, 7N6XGV3U49, DTXSID6044357, AI3-01170, p-methoxy-benzyl alcohol, NSC-2151, para-methoxybenzyl alcohol, (4-methoxyphenyl)-methanol, ANISE ALCOHOL [MI], (4-Methoxy-phenyl)-methanol, ANISYL ALCOHOL [FCC], ANISYL ALCOHOL [FHFI], DTXCID4024357, PARA METHOXYBENZYL ALCOHOL, EC 203-273-6, 4-06-00-05909 (Beilstein Handbook Reference), (4-(METHYLOXY)PHENYL)METHANOL, A1BDD, [4-(methyloxy)phenyl]methanol, 4-METHOXY-[7-13C]-BENZYL ALCOHOL, UNII-7N6XGV3U49, Anisalkohol, p-anisalcohol, pAnisol alcohol, pAnisyl alcohol, Anisalcohol, p, ar-anisyl alcohol, JandaJel(TM)-Wang, p-methoxybenzylalcohol, pMethoxybenzyl alcohol, 4methoxybenzyl alcohol, 4Methoxybenzenemethanol, 4-methoxyphenylmethanol, 4-methoxy-benzylalcohol, 4-methoxylbenzyl alcohol, 4-methyoxybenzyl alcohol, (4Methoxyphenyl)methanol, Benzyl alcohol, pmethoxy, 4-methoxy-benzenemethanol, 4-methoxy-benzyl alcohol, 4-(Hydroxymethyl)anisole, Benzenemethanol, 4methoxy, bmse010025, DSSTox_CID_24357, DSSTox_RID_82376, 4-methoxyphenylmethyl alcohol, DSSTox_GSID_47486, SCHEMBL27329, WLN: Q1R DO1, (4-Methoxyphenyl)methanol #, ANISE ALCOHOL [INCI], p-Anisyl alcohol, Anise alcohol, 4-Methoxybenzyl alcohol, 98%, CHEMBL294431, FEMA 2099, NSC2151, 1-methoxy-4-hydroxymethyl-benzene, CHEBI:193647, BENZENEMETHANOL,AR-METHOXY-, BCP26725, STR00774, Tox21_301115, Tox21_302521, BBL027471, STL146342, Anisyl alcohol, >=98%, FCC, FG, AKOS000249369, Anisyl alcohol, natural, >=98%, FG, CS-W016493, FM47002, HY-W015777, PB47798, PS-4037, NCGC00248292-01, NCGC00255015-01, NCGC00256684-01, CAS-105-13-5, CAS-1331-81-3, DB-003500, 4-Methoxybenzyl alcohol, analytical standard, M0107, NS00009442, EN300-16200, Anisyl alcohol 1000 microg/mL in Acetonitrile, D77792, Q548873, Z54603098, F0001-0102, 203-273-6, JandaJel(TM)-Wang, 100-200 mesh, extent of labeling: 1.0 mmol/g loading, 2 % cross-linked
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 29.5
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCCCC1
Deep Smiles OCcccccc6))OC
Heavy Atom Count 10.0
Classyfire Class Benzene and substituted derivatives
Description Isolated from vanilla, aniseed oil, sweet osmanthus (Osmanthus fragrans) flowers and tarragon (Artemisia dracunculus). It is used in flower perfumes and flavourings. 4-Methoxybenzyl alcohol is found in herbs and spices and anise.
Scaffold Graph Node Level C1CCCCC1
Classyfire Subclass Benzyl alcohols
Isotope Atom Count 0.0
Molecular Complexity 85.3
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P02769, P10275
Iupac Name (4-methoxyphenyl)methanol
Prediction Hob 1.0
Class Benzene and substituted derivatives
Veber Rule True
Classyfire Superclass Benzenoids
Xlogp 1.1
Superclass Benzenoids
Subclass Benzyl alcohols
Gsk 4 400 Rule True
Molecular Formula C8H10O2
Scaffold Graph Node Bond Level c1ccccc1
Prediction Swissadme 0.0
Inchi Key MSHFRERJPWKJFX-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.25
Logs -1.028
Rotatable Bond Count 2.0
State Liquid
Logd 1.068
Synonyms (4-Methoxyphenyl)methanol, 4-Anisylalcohol, 4-Methoxy-benzenemethanol, 4-Methoxybenzenemethanol, 4-Methoxybenzyl alcohol, Anis alcohol, Anisalcohol, p-, Anise alcohol, Anisic alcohol, Anisyl alcohol, Benzenemethanol, 4-methoxy-, Benzyl alcohol, p-methoxy-, FEMA 2099, Jandajel(TM)-wang, P-Anisalcohol, P-anisol alcohol, P-anisyl alcohol, P-Methoxy-benzyl alcohol, P-methoxybenzyl alcohol, P-Methoxybenzyl alcohol, P-Anisol alcohol, P-Anisyl alcohol, Anisalcohol, Para-methoxybenzyl alcohol, 4-me ether-4-hydroxybenzyl alcohol, 4-methoxybenzyl alcohol, anisyl alcohol
Esol Class Very soluble
Functional Groups CO, cOC
Compound Name Anise alcohol
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 138.068
Formal Charge 0.0
Monoisotopic Mass 138.068
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 138.16
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 -1.7016291999999997
Inchi InChI=1S/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3
Smiles COC1=CC=C(C=C1)CO
Nring 1.0
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Benzyl alcohols