(3R,4S)-8-methoxy-5-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol

C17H19NO2 — CID 101139844

IUPAC(3R,4S)-8-methoxy-5-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol
SMILESCOc1ccc(C)c2c1NC[C@H](O)[C@H]2c1ccccc1
InChIInChI=1S/C17H19NO2/c1-11-8-9-14(20-2)17-15(11)16(13(19)10-18-17)12-6-4-3-5-7-12/h3-9,13,16,18-19H,10H2,1-2H3/t13-,16+/m0/s1
InChIKeySVLOENRLCGVJLG-XJKSGUPXSA-N
MW269.34 g/mol
LogP2.92
Rot. Bonds2

About (3R,4S)-8-methoxy-5-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol

(3R,4S)-8-methoxy-5-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol (PubChem CID 101139844) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (3R,4S)-8-methoxy-5-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol.

Molecular Properties

Compound Name(3R,4S)-8-methoxy-5-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol
PubChem CID101139844
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(3R,4S)-8-methoxy-5-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol
SMILESCOc1ccc(C)c2c1NC[C@H](O)[C@H]2c1ccccc1
InChIInChI=1S/C17H19NO2/c1-11-8-9-14(20-2)17-15(11)16(13(19)10-18-17)12-6-4-3-5-7-12/h3-9,13,16,18-19H,10H2,1-2H3/t13-,16+/m0/s1
InChIKeySVLOENRLCGVJLG-XJKSGUPXSA-N
XLogP2.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-8-methoxy-5-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol with MolForge

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Related Compounds

(3R,4S)-6-methoxy-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 101139837
2-(8-methoxy-5-methylspiro[2,4-dihydro-1H-quinoline-3,1'-cyclopropane]-4-yl)acetic acid
CID 82624017
2-tert-butyl-5-methoxy-8-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84634448
(3S,4R)-4-phenylpyrrolidin-3-ol
CID 25067300
9-methoxy-6-methyl-3-propan-2-yl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 83217600
8-methoxy-4-phenyl-1,2,3,4-tetrahydroquinoline
CID 54763699
(3R,4S)-4-phenylpyrrolidin-3-ol;hydrochloride
CID 162341594
2-amino-2-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)ethanol
CID 83868546
(3R)-8-methoxy-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 96616866
6,9-dimethoxy-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17244216
4-amino-5-methoxy-1,2,3,4-tetrahydroquinolin-3-ol
CID 130137807
2,3-diiodo-1-methoxy-4-methylbenzene
CID 130056548

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-8-methoxy-5-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol?
The IUPAC name of (3R,4S)-8-methoxy-5-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol (CID 101139844) is (3R,4S)-8-methoxy-5-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol.
What is the SMILES notation for (3R,4S)-8-methoxy-5-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol?
The canonical SMILES for (3R,4S)-8-methoxy-5-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol is COc1ccc(C)c2c1NC[C@H](O)[C@H]2c1ccccc1.
What is the InChIKey of (3R,4S)-8-methoxy-5-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol?
The InChIKey is SVLOENRLCGVJLG-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-8-9-14(20-2)17-15(11)16(13(19)10-18-17)12-6-4-3-5-7-12/h3-9,13,16,18-19H,10H2,1-2H3/t13-,16+/m0/s1.
What are the key properties of (3R,4S)-8-methoxy-5-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol?
(3R,4S)-8-methoxy-5-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol has a molecular weight of 269.34 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-8-methoxy-5-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol is sourced from PubChem (CID 101139844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).