2-[(2R,4R,4aR,8aR)-4-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl]phenol

C21H25NO — CID 98695596

IUPAC2-[(2R,4R,4aR,8aR)-4-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl]phenol
SMILESOc1ccccc1[C@H]1C[C@@H](c2ccccc2)[C@H]2CCCC[C@H]2N1
InChIInChI=1S/C21H25NO/c23-21-13-7-5-11-17(21)20-14-18(15-8-2-1-3-9-15)16-10-4-6-12-19(16)22-20/h1-3,5,7-9,11,13,16,18-20,22-23H,4,6,10,12,14H2/t16-,18+,19-,20-/m1/s1
InChIKeyFAXYOLVJOUGVAO-GSEOLPGOSA-N
MW307.44 g/mol
LogP4.77
Rot. Bonds2

About 2-[(2R,4R,4aR,8aR)-4-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl]phenol

2-[(2R,4R,4aR,8aR)-4-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl]phenol (PubChem CID 98695596) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-[(2R,4R,4aR,8aR)-4-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl]phenol.

Molecular Properties

Compound Name2-[(2R,4R,4aR,8aR)-4-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl]phenol
PubChem CID98695596
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name2-[(2R,4R,4aR,8aR)-4-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl]phenol
SMILESOc1ccccc1[C@H]1C[C@@H](c2ccccc2)[C@H]2CCCC[C@H]2N1
InChIInChI=1S/C21H25NO/c23-21-13-7-5-11-17(21)20-14-18(15-8-2-1-3-9-15)16-10-4-6-12-19(16)22-20/h1-3,5,7-9,11,13,16,18-20,22-23H,4,6,10,12,14H2/t16-,18+,19-,20-/m1/s1
InChIKeyFAXYOLVJOUGVAO-GSEOLPGOSA-N
XLogP4.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(2R,4R,4aR,8aR)-4-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[bis[4-(2-hydroxyphenyl)azetidin-2-yl]amino]azetidin-2-yl]phenol
CID 23109848
2-[4-[bis[4-(2-hydroxyphenyl)azetidin-2-yl]amino]azetidin-2-yl]phenol;manganese
CID 68927947
9,10-diphenyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 140505234
4-(2-hydroxyphenyl)azetidine-2-carbaldehyde
CID 174681874
2-(azetidin-2-yl)phenol
CID 55282316
(4aR,8aS)-1-hydroxy-2,4-diphenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 53311038
4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-one
CID 76845400
2-[(1S,2R)-2-methylcyclopropyl]phenol
CID 176896077
2-cyclododecylphenol
CID 22381643
(3R)-1-methyl-3-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 70595398
(2S)-2-phenyl-7-azabicyclo[2.2.1]heptane
CID 10197910
1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid
CID 84694667

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R,4aR,8aR)-4-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl]phenol?
The IUPAC name of 2-[(2R,4R,4aR,8aR)-4-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl]phenol (CID 98695596) is 2-[(2R,4R,4aR,8aR)-4-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl]phenol.
What is the SMILES notation for 2-[(2R,4R,4aR,8aR)-4-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl]phenol?
The canonical SMILES for 2-[(2R,4R,4aR,8aR)-4-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl]phenol is Oc1ccccc1[C@H]1C[C@@H](c2ccccc2)[C@H]2CCCC[C@H]2N1.
What is the InChIKey of 2-[(2R,4R,4aR,8aR)-4-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl]phenol?
The InChIKey is FAXYOLVJOUGVAO-GSEOLPGOSA-N. The full InChI is InChI=1S/C21H25NO/c23-21-13-7-5-11-17(21)20-14-18(15-8-2-1-3-9-15)16-10-4-6-12-19(16)22-20/h1-3,5,7-9,11,13,16,18-20,22-23H,4,6,10,12,14H2/t16-,18+,19-,20-/m1/s1.
What are the key properties of 2-[(2R,4R,4aR,8aR)-4-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl]phenol?
2-[(2R,4R,4aR,8aR)-4-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl]phenol has a molecular weight of 307.44 g/mol, XLogP of 4.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R,4aR,8aR)-4-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl]phenol is sourced from PubChem (CID 98695596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).