(3R,4S)-6-methoxy-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol

C16H17NO2 — CID 101139837

IUPAC(3R,4S)-6-methoxy-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol
SMILESCOc1ccc2c(c1)[C@H](c1ccccc1)[C@@H](O)CN2
InChIInChI=1S/C16H17NO2/c1-19-12-7-8-14-13(9-12)16(15(18)10-17-14)11-5-3-2-4-6-11/h2-9,15-18H,10H2,1H3/t15-,16-/m0/s1
InChIKeyGRLLVVZSCSETRN-HOTGVXAUSA-N
MW255.32 g/mol
LogP2.61
Rot. Bonds2

About (3R,4S)-6-methoxy-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol

(3R,4S)-6-methoxy-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol (PubChem CID 101139837) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (3R,4S)-6-methoxy-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol.

Molecular Properties

Compound Name(3R,4S)-6-methoxy-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol
PubChem CID101139837
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(3R,4S)-6-methoxy-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol
SMILESCOc1ccc2c(c1)[C@H](c1ccccc1)[C@@H](O)CN2
InChIInChI=1S/C16H17NO2/c1-19-12-7-8-14-13(9-12)16(15(18)10-17-14)11-5-3-2-4-6-11/h2-9,15-18H,10H2,1H3/t15-,16-/m0/s1
InChIKeyGRLLVVZSCSETRN-HOTGVXAUSA-N
XLogP2.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-6-methoxy-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol?
The IUPAC name of (3R,4S)-6-methoxy-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol (CID 101139837) is (3R,4S)-6-methoxy-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol.
What is the SMILES notation for (3R,4S)-6-methoxy-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol?
The canonical SMILES for (3R,4S)-6-methoxy-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol is COc1ccc2c(c1)[C@H](c1ccccc1)[C@@H](O)CN2.
What is the InChIKey of (3R,4S)-6-methoxy-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol?
The InChIKey is GRLLVVZSCSETRN-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H17NO2/c1-19-12-7-8-14-13(9-12)16(15(18)10-17-14)11-5-3-2-4-6-11/h2-9,15-18H,10H2,1H3/t15-,16-/m0/s1.
What are the key properties of (3R,4S)-6-methoxy-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol?
(3R,4S)-6-methoxy-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol has a molecular weight of 255.32 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-6-methoxy-4-phenyl-1,2,3,4-tetrahydroquinolin-3-ol is sourced from PubChem (CID 101139837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).