(3R)-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroquinolin-3-ol

C17H19NO3 — CID 102281148

IUPAC(3R)-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroquinolin-3-ol
SMILESCOc1cc2c(cc1OCc1ccccc1)C[C@@H](O)CN2
InChIInChI=1S/C17H19NO3/c1-20-16-9-15-13(7-14(19)10-18-15)8-17(16)21-11-12-5-3-2-4-6-12/h2-6,8-9,14,18-19H,7,10-11H2,1H3/t14-/m1/s1
InChIKeyVPCXLWROEVNYGR-CQSZACIVSA-N
MW285.34 g/mol
LogP2.60
Rot. Bonds4

About (3R)-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroquinolin-3-ol

(3R)-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroquinolin-3-ol (PubChem CID 102281148) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (3R)-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroquinolin-3-ol.

Molecular Properties

Compound Name(3R)-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroquinolin-3-ol
PubChem CID102281148
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(3R)-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroquinolin-3-ol
SMILESCOc1cc2c(cc1OCc1ccccc1)C[C@@H](O)CN2
InChIInChI=1S/C17H19NO3/c1-20-16-9-15-13(7-14(19)10-18-15)8-17(16)21-11-12-5-3-2-4-6-12/h2-6,8-9,14,18-19H,7,10-11H2,1H3/t14-/m1/s1
InChIKeyVPCXLWROEVNYGR-CQSZACIVSA-N
XLogP2.60
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze (3R)-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroquinolin-3-ol with MolForge

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Related Compounds

4-benzyl-7-methoxy-3-methyl-8-phenylmethoxy-1,2,3,5-tetrahydro-1,4-benzodiazepine
CID 175944059
7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 15296734
5,12,19-tris[[3,5-bis(phenylmethoxy)phenyl]methoxy]-6,13,20-trimethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 100981956
(3R)-3-tert-butyl-7-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 125474210
6-methoxy-7-phenylmethoxy-1-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 4026358
2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 25071224
7-methoxy-1-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 4523184
3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676205
1-(2,3-dichlorophenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3375652
(12aS)-8-methoxy-9-phenylmethoxy-4a,11,12,12a,13,13a-hexahydroindolo[2,1-c][1,4]benzodiazepin-6-one
CID 163854733
(4,5-dimethoxy-2-phenylmethoxyphenyl)methanol
CID 53441132
(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)piperazine;hydrochloride
CID 171194691

Frequently Asked Questions

What is the IUPAC name of (3R)-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroquinolin-3-ol?
The IUPAC name of (3R)-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroquinolin-3-ol (CID 102281148) is (3R)-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroquinolin-3-ol.
What is the SMILES notation for (3R)-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroquinolin-3-ol?
The canonical SMILES for (3R)-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroquinolin-3-ol is COc1cc2c(cc1OCc1ccccc1)C[C@@H](O)CN2.
What is the InChIKey of (3R)-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroquinolin-3-ol?
The InChIKey is VPCXLWROEVNYGR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-16-9-15-13(7-14(19)10-18-15)8-17(16)21-11-12-5-3-2-4-6-12/h2-6,8-9,14,18-19H,7,10-11H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroquinolin-3-ol?
(3R)-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroquinolin-3-ol has a molecular weight of 285.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-methoxy-6-phenylmethoxy-1,2,3,4-tetrahydroquinolin-3-ol is sourced from PubChem (CID 102281148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).