(2R,4S)-2-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol

C18H21NO4 — CID 124677082

IUPAC(2R,4S)-2-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol
SMILESCOc1cc([C@H]2C[C@H](O)c3ccccc3N2)cc(OC)c1OC
InChIInChI=1S/C18H21NO4/c1-21-16-8-11(9-17(22-2)18(16)23-3)14-10-15(20)12-6-4-5-7-13(12)19-14/h4-9,14-15,19-20H,10H2,1-3H3/t14-,15+/m1/s1
InChIKeyGXHKCMCWXWGCDJ-CABCVRRESA-N
MW315.37 g/mol
LogP3.30
Rot. Bonds4

About (2R,4S)-2-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol

(2R,4S)-2-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol (PubChem CID 124677082) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is (2R,4S)-2-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol.

Molecular Properties

Compound Name(2R,4S)-2-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol
PubChem CID124677082
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name(2R,4S)-2-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol
SMILESCOc1cc([C@H]2C[C@H](O)c3ccccc3N2)cc(OC)c1OC
InChIInChI=1S/C18H21NO4/c1-21-16-8-11(9-17(22-2)18(16)23-3)14-10-15(20)12-6-4-5-7-13(12)19-14/h4-9,14-15,19-20H,10H2,1-3H3/t14-,15+/m1/s1
InChIKeyGXHKCMCWXWGCDJ-CABCVRRESA-N
XLogP3.30
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-2-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol
CID 124841871
1,2,3,4-tetrahydroquinoline-2,4-diol
CID 155578583
(3S)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 102288826
1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-indene
CID 91416064
(2S,4R)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-benzo[h]chromen-4-ol
CID 10384269
4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,3-benzoxazin-2-one
CID 123578924
(2R,4R)-2-(4-fluorophenyl)-4-methoxy-1,2,3,4-tetrahydroquinoline
CID 124562870
(1S,4aS,5S,8aS)-1,5-bis(3,4,5-trimethoxyphenyl)-1,3,4,4a,5,7,8,8a-octahydropyrano[4,3-c]pyran-3,7-diol
CID 11755912
(2S)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1009267
3-(2-methoxyphenyl)cyclopentan-1-ol
CID 64516267
(1S,4R)-4-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-ol
CID 122393732
(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110636820

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol?
The IUPAC name of (2R,4S)-2-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol (CID 124677082) is (2R,4S)-2-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol.
What is the SMILES notation for (2R,4S)-2-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol?
The canonical SMILES for (2R,4S)-2-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol is COc1cc([C@H]2C[C@H](O)c3ccccc3N2)cc(OC)c1OC.
What is the InChIKey of (2R,4S)-2-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol?
The InChIKey is GXHKCMCWXWGCDJ-CABCVRRESA-N. The full InChI is InChI=1S/C18H21NO4/c1-21-16-8-11(9-17(22-2)18(16)23-3)14-10-15(20)12-6-4-5-7-13(12)19-14/h4-9,14-15,19-20H,10H2,1-3H3/t14-,15+/m1/s1.
What are the key properties of (2R,4S)-2-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol?
(2R,4S)-2-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol has a molecular weight of 315.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinolin-4-ol is sourced from PubChem (CID 124677082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).