1-(4-methoxy-3-phenylmethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol

C23H29NO3 — CID 23763829

IUPAC1-(4-methoxy-3-phenylmethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
SMILESCOc1ccc(C2NCCC3(O)CCCCC23)cc1OCc1ccccc1
InChIInChI=1S/C23H29NO3/c1-26-20-11-10-18(15-21(20)27-16-17-7-3-2-4-8-17)22-19-9-5-6-12-23(19,25)13-14-24-22/h2-4,7-8,10-11,15,19,22,24-25H,5-6,9,12-14,16H2,1H3
InChIKeyBWYVEWHMISGRDN-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.23
Rot. Bonds5

About 1-(4-methoxy-3-phenylmethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol

1-(4-methoxy-3-phenylmethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol (PubChem CID 23763829) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-(4-methoxy-3-phenylmethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol.

Molecular Properties

Compound Name1-(4-methoxy-3-phenylmethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
PubChem CID23763829
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name1-(4-methoxy-3-phenylmethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
SMILESCOc1ccc(C2NCCC3(O)CCCCC23)cc1OCc1ccccc1
InChIInChI=1S/C23H29NO3/c1-26-20-11-10-18(15-21(20)27-16-17-7-3-2-4-8-17)22-19-9-5-6-12-23(19,25)13-14-24-22/h2-4,7-8,10-11,15,19,22,24-25H,5-6,9,12-14,16H2,1H3
InChIKeyBWYVEWHMISGRDN-UHFFFAOYSA-N
XLogP4.23
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxy-3-phenylmethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-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

(1R,4aS,8aR)-1-(3-hydroxy-4-methoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
CID 23968662
(2R)-2-(4-methoxy-3-phenylmethoxyphenyl)piperidine
CID 171195670
(1R,4aR,8aR)-1-phenyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
CID 51373432
1-naphthalen-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
CID 11836475
(1R,4aS,8aS)-1-(2,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
CID 7429084
(1R,4aS,8aR)-1-(3-chlorophenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
CID 7336745
(1R,4aS,8aR)-1-(4-prop-2-enoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
CID 40823192
5-(4-methoxy-3-phenylmethoxyphenyl)-2,2-dimethylcyclopentan-1-amine
CID 126507338
2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane
CID 14831922
1-[4-(dimethylamino)phenyl]-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
CID 3791488
(3S)-3-(4-methoxy-3-phenylmethoxyphenyl)morpholine;hydrochloride
CID 171193382
(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)piperidine
CID 171195092

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-phenylmethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol?
The IUPAC name of 1-(4-methoxy-3-phenylmethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol (CID 23763829) is 1-(4-methoxy-3-phenylmethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol.
What is the SMILES notation for 1-(4-methoxy-3-phenylmethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol?
The canonical SMILES for 1-(4-methoxy-3-phenylmethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol is COc1ccc(C2NCCC3(O)CCCCC23)cc1OCc1ccccc1.
What is the InChIKey of 1-(4-methoxy-3-phenylmethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol?
The InChIKey is BWYVEWHMISGRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-26-20-11-10-18(15-21(20)27-16-17-7-3-2-4-8-17)22-19-9-5-6-12-23(19,25)13-14-24-22/h2-4,7-8,10-11,15,19,22,24-25H,5-6,9,12-14,16H2,1H3.
What are the key properties of 1-(4-methoxy-3-phenylmethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol?
1-(4-methoxy-3-phenylmethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol has a molecular weight of 367.49 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-phenylmethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol is sourced from PubChem (CID 23763829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).