(4aR,8aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroisoquinolin-8a-ol

C16H23NO2 — CID 57075287

IUPAC(4aR,8aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroisoquinolin-8a-ol
SMILESCOc1cccc([C@]23CCCC[C@]2(O)CNCC3)c1
InChIInChI=1S/C16H23NO2/c1-19-14-6-4-5-13(11-14)15-7-2-3-8-16(15,18)12-17-10-9-15/h4-6,11,17-18H,2-3,7-10,12H2,1H3/t15-,16+/m1/s1
InChIKeyGTCLVWBKUVQHJX-CVEARBPZSA-N
MW261.36 g/mol
LogP2.23
Rot. Bonds2

About (4aR,8aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroisoquinolin-8a-ol

(4aR,8aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroisoquinolin-8a-ol (PubChem CID 57075287) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (4aR,8aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroisoquinolin-8a-ol.

Molecular Properties

Compound Name(4aR,8aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroisoquinolin-8a-ol
PubChem CID57075287
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(4aR,8aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroisoquinolin-8a-ol
SMILESCOc1cccc([C@]23CCCC[C@]2(O)CNCC3)c1
InChIInChI=1S/C16H23NO2/c1-19-14-6-4-5-13(11-14)15-7-2-3-8-16(15,18)12-17-10-9-15/h4-6,11,17-18H,2-3,7-10,12H2,1H3/t15-,16+/m1/s1
InChIKeyGTCLVWBKUVQHJX-CVEARBPZSA-N
XLogP2.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4aR,8aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroisoquinolin-8a-ol 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

1-[8a-hydroxy-4a-(3-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroisoquinolin-6-yl]propan-2-one
CID 57283982
1-[4-(3-methoxyphenyl)-1-methylpiperidin-4-yl]cyclooctan-1-ol
CID 13363428
(4aS,12aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,12-hexahydropyrido[3,4-b]acridin-12a-ol
CID 154131456
(3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine
CID 124547155
2-(3-methoxyphenyl)-2-methylpiperidine
CID 83532633
2,7-diazaspiro[4.5]decan-7-yl-[1-(3-methoxyphenyl)cyclopentyl]methanone
CID 126813294
3-[4-(3-methoxyphenyl)phenyl]piperidin-3-ol
CID 19424700
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
4-[(3-methoxyphenoxy)methyl]piperidin-4-ol
CID 81042080
5-(3-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 60795066
bis(cis-(1S,2S)-2-[[bis(trideuteriomethyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol);hydrochloride
CID 160528339
cis-(1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 10017651

Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroisoquinolin-8a-ol?
The IUPAC name of (4aR,8aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroisoquinolin-8a-ol (CID 57075287) is (4aR,8aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroisoquinolin-8a-ol.
What is the SMILES notation for (4aR,8aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroisoquinolin-8a-ol?
The canonical SMILES for (4aR,8aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroisoquinolin-8a-ol is COc1cccc([C@]23CCCC[C@]2(O)CNCC3)c1.
What is the InChIKey of (4aR,8aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroisoquinolin-8a-ol?
The InChIKey is GTCLVWBKUVQHJX-CVEARBPZSA-N. The full InChI is InChI=1S/C16H23NO2/c1-19-14-6-4-5-13(11-14)15-7-2-3-8-16(15,18)12-17-10-9-15/h4-6,11,17-18H,2-3,7-10,12H2,1H3/t15-,16+/m1/s1.
What are the key properties of (4aR,8aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroisoquinolin-8a-ol?
(4aR,8aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroisoquinolin-8a-ol has a molecular weight of 261.36 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroisoquinolin-8a-ol is sourced from PubChem (CID 57075287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).