(S)-[(5R)-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-(4-methoxyphenyl)methanol

C18H17NO4 — CID 162936326

IUPAC(S)-[(5R)-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-(4-methoxyphenyl)methanol
SMILESCOc1ccc([C@H](O)[C@@H]2NC=Cc3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C18H17NO4/c1-21-13-4-2-11(3-5-13)18(20)17-14-9-16-15(22-10-23-16)8-12(14)6-7-19-17/h2-9,17-20H,10H2,1H3/t17-,18+/m1/s1
InChIKeyWGVFEYQMUJAWIJ-MSOLQXFVSA-N
MW311.34 g/mol
LogP2.77
Rot. Bonds3

About (S)-[(5R)-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-(4-methoxyphenyl)methanol

(S)-[(5R)-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-(4-methoxyphenyl)methanol (PubChem CID 162936326) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is (S)-[(5R)-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(S)-[(5R)-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-(4-methoxyphenyl)methanol
PubChem CID162936326
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name(S)-[(5R)-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-(4-methoxyphenyl)methanol
SMILESCOc1ccc([C@H](O)[C@@H]2NC=Cc3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C18H17NO4/c1-21-13-4-2-11(3-5-13)18(20)17-14-9-16-15(22-10-23-16)8-12(14)6-7-19-17/h2-9,17-20H,10H2,1H3/t17-,18+/m1/s1
InChIKeyWGVFEYQMUJAWIJ-MSOLQXFVSA-N
XLogP2.77
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (S)-[(5R)-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-(4-methoxyphenyl)methanol 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

2,3-dihydro-1H-inden-2-yl-(4-methoxyphenyl)methanol
CID 65410577
2-(1,3-benzodioxol-5-yl)-2-(4-methoxyanilino)ethanol
CID 61045491
[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-2-yl]-(4-methoxyphenyl)methanol chloride
CID 110174092
[(6R,7R)-7-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-yl]methanol
CID 171383652
1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methanol
CID 61099714
5-[1-(4-methoxyphenyl)prop-2-enyl]-1,3-benzodioxole
CID 141140455
[4-(4-methoxyphenyl)phenyl]-piperidin-4-ylmethanol
CID 82341647
N-[1-(4-methoxyphenyl)ethyl]-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82562813
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 112831404
1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-2,3-dihydro-1H-isoindole
CID 15859200
N-[1,3-benzodioxol-5-yl-(4-methoxyphenyl)methyl]ethanamine
CID 43489246
5-ethoxy-6-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole
CID 679971

Frequently Asked Questions

What is the IUPAC name of (S)-[(5R)-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-(4-methoxyphenyl)methanol?
The IUPAC name of (S)-[(5R)-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-(4-methoxyphenyl)methanol (CID 162936326) is (S)-[(5R)-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-(4-methoxyphenyl)methanol.
What is the SMILES notation for (S)-[(5R)-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-(4-methoxyphenyl)methanol?
The canonical SMILES for (S)-[(5R)-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-(4-methoxyphenyl)methanol is COc1ccc([C@H](O)[C@@H]2NC=Cc3cc4c(cc32)OCO4)cc1.
What is the InChIKey of (S)-[(5R)-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-(4-methoxyphenyl)methanol?
The InChIKey is WGVFEYQMUJAWIJ-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H17NO4/c1-21-13-4-2-11(3-5-13)18(20)17-14-9-16-15(22-10-23-16)8-12(14)6-7-19-17/h2-9,17-20H,10H2,1H3/t17-,18+/m1/s1.
What are the key properties of (S)-[(5R)-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-(4-methoxyphenyl)methanol?
(S)-[(5R)-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-(4-methoxyphenyl)methanol has a molecular weight of 311.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(5R)-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-(4-methoxyphenyl)methanol is sourced from PubChem (CID 162936326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).