4-Butylphenol

PubChem CID: 15420

Connections displayed (default: 10).

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Compound Synonyms	4-Butylphenol, 4-n-Butylphenol, 1638-22-8, Phenol, 4-butyl-, p-Butylphenol, p-Hydroxybutylbenzene, Phenol, p-butyl-, 1-Hydroxy-4-n-butylbenzene, p-n-Butylphenol, Phenol, p-butyl, 4-Butyl-phenol, NSC 407848, 1-(p-Hydroxyphenyl)butane, EINECS 216-672-5, MFCD00041750, BRN 2042120, DTXSID3047425, UNII-22985E4F3Q, AI3-22444, P-(N-BUTYL)PHENOL, 22985E4F3Q, NSC-407848, 4-(BUT-1-YL)PHENOL, DTXCID1027425, CHEBI:34437, 4-06-00-03269 (Beilstein Handbook Reference), 4-N-Ethylphenol, 4-Butylphenol, AldrichCPR, NCIOpen2_003739, WLN: QR D4, SCHEMBL20233, BIDD:ER0056, CHEMBL152295, Tox21_302594, NSC407848, AKOS004908125, NCGC00256649-01, BS-42137, SY048444, CAS-1638-22-8, B1026, CS-0198782, NS00021026, D88733, EN300-113954, Q27116066, Z401573222, 216-672-5
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCCCC1
Np Classifier Class	Catechols with side chains
Deep Smiles	CCCCcccccc6))O
Heavy Atom Count	11.0
Classyfire Class	Phenols
Scaffold Graph Node Level	C1CCCCC1
Classyfire Subclass	1-hydroxy-2-unsubstituted benzenoids
Isotope Atom Count	0.0
Molecular Complexity	93.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	P17988, P22309, P05412
Iupac Name	4-butylphenol
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Benzenoids
Xlogp	3.4
Gsk 4 400 Rule	True
Molecular Formula	C10H14O
Scaffold Graph Node Bond Level	c1ccccc1
Prediction Swissadme	1.0
Inchi Key	CYYZDBDROVLTJU-UHFFFAOYSA-N
Silicos It Class	Soluble
Fcsp3	0.4
Logs	-2.634
Rotatable Bond Count	3.0
Logd	3.398
Synonyms	4-butyl phenol
Esol Class	Soluble
Functional Groups	cO
Compound Name	4-Butylphenol
Prediction Hob Swissadme	1.0
Exact Mass	150.104
Formal Charge	0.0
Monoisotopic Mass	150.104
Hydrogen Bond Acceptor Count	1.0
Molecular Weight	150.22
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
Esol	-3.2765065636363637
Inchi	InChI=1S/C10H14O/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8,11H,2-4H2,1H3
Smiles	CCCCC1=CC=C(C=C1)O
Nring	1.0
Np Classifier Biosynthetic Pathway	Polyketides
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Aromatic polyketides

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105. Outgoing r'ship FOUND_IN to/from Youngia Japonica (Plant) Rel Props:Reference:

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4-Butylphenol

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Phytochemical Properties

Associated Connections 105

Plant Connections 105