(2S,4S)-2-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol

C17H19NO3 — CID 124841871

IUPAC(2S,4S)-2-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol
SMILESCOc1ccc([C@@H]2C[C@H](O)c3ccccc3N2)cc1OC
InChIInChI=1S/C17H19NO3/c1-20-16-8-7-11(9-17(16)21-2)14-10-15(19)12-5-3-4-6-13(12)18-14/h3-9,14-15,18-19H,10H2,1-2H3/t14-,15-/m0/s1
InChIKeyBFPWODDVZVOKAJ-GJZGRUSLSA-N
MW285.34 g/mol
LogP3.29
Rot. Bonds3

About (2S,4S)-2-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol

(2S,4S)-2-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol (PubChem CID 124841871) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2S,4S)-2-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol.

Molecular Properties

Compound Name(2S,4S)-2-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol
PubChem CID124841871
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(2S,4S)-2-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol
SMILESCOc1ccc([C@@H]2C[C@H](O)c3ccccc3N2)cc1OC
InChIInChI=1S/C17H19NO3/c1-20-16-8-7-11(9-17(16)21-2)14-10-15(19)12-5-3-4-6-13(12)18-14/h3-9,14-15,18-19H,10H2,1-2H3/t14-,15-/m0/s1
InChIKeyBFPWODDVZVOKAJ-GJZGRUSLSA-N
XLogP3.29
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4S)-2-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol
CID 124677082
1,2,3,4-tetrahydroquinoline-2,4-diol
CID 155578583
4-(3,4-dimethoxyphenyl)azetidin-2-one
CID 64667069
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
azane;7-(3,4-dimethoxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 67741976
(5S,7R)-5-(3,4-dimethoxyphenyl)-7-(2-fluorophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 135774870
2-[5-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyrazol-3-yl]phenol
CID 91896144
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
(2R,4R)-2-(4-fluorophenyl)-4-methoxy-1,2,3,4-tetrahydroquinoline
CID 124562870
2-(4-methoxy-3-propoxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 110538069
(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171194815
(1S)-1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 42054648

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol?
The IUPAC name of (2S,4S)-2-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol (CID 124841871) is (2S,4S)-2-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol.
What is the SMILES notation for (2S,4S)-2-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol?
The canonical SMILES for (2S,4S)-2-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol is COc1ccc([C@@H]2C[C@H](O)c3ccccc3N2)cc1OC.
What is the InChIKey of (2S,4S)-2-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol?
The InChIKey is BFPWODDVZVOKAJ-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-16-8-7-11(9-17(16)21-2)14-10-15(19)12-5-3-4-6-13(12)18-14/h3-9,14-15,18-19H,10H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (2S,4S)-2-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol?
(2S,4S)-2-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol has a molecular weight of 285.34 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol is sourced from PubChem (CID 124841871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).