(3S,4S)-4-[(1S)-1-hydroxyethyl]-1,2,3,4-tetrahydroquinolin-3-ol

C11H15NO2 — CID 121334777

IUPAC(3S,4S)-4-[(1S)-1-hydroxyethyl]-1,2,3,4-tetrahydroquinolin-3-ol
SMILESC[C@H](O)[C@@H]1c2ccccc2NC[C@H]1O
InChIInChI=1S/C11H15NO2/c1-7(13)11-8-4-2-3-5-9(8)12-6-10(11)14/h2-5,7,10-14H,6H2,1H3/t7-,10+,11+/m0/s1
InChIKeyGCHXPSOEMAKHKV-WHGOUJPWSA-N
MW193.25 g/mol
LogP0.94
Rot. Bonds1

About (3S,4S)-4-[(1S)-1-hydroxyethyl]-1,2,3,4-tetrahydroquinolin-3-ol

(3S,4S)-4-[(1S)-1-hydroxyethyl]-1,2,3,4-tetrahydroquinolin-3-ol (PubChem CID 121334777) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (3S,4S)-4-[(1S)-1-hydroxyethyl]-1,2,3,4-tetrahydroquinolin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-[(1S)-1-hydroxyethyl]-1,2,3,4-tetrahydroquinolin-3-ol
PubChem CID121334777
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(3S,4S)-4-[(1S)-1-hydroxyethyl]-1,2,3,4-tetrahydroquinolin-3-ol
SMILESC[C@H](O)[C@@H]1c2ccccc2NC[C@H]1O
InChIInChI=1S/C11H15NO2/c1-7(13)11-8-4-2-3-5-9(8)12-6-10(11)14/h2-5,7,10-14H,6H2,1H3/t7-,10+,11+/m0/s1
InChIKeyGCHXPSOEMAKHKV-WHGOUJPWSA-N
XLogP0.94
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[(1S)-1-hydroxyethyl]-1,2,3,4-tetrahydroquinolin-3-ol?
The IUPAC name of (3S,4S)-4-[(1S)-1-hydroxyethyl]-1,2,3,4-tetrahydroquinolin-3-ol (CID 121334777) is (3S,4S)-4-[(1S)-1-hydroxyethyl]-1,2,3,4-tetrahydroquinolin-3-ol.
What is the SMILES notation for (3S,4S)-4-[(1S)-1-hydroxyethyl]-1,2,3,4-tetrahydroquinolin-3-ol?
The canonical SMILES for (3S,4S)-4-[(1S)-1-hydroxyethyl]-1,2,3,4-tetrahydroquinolin-3-ol is C[C@H](O)[C@@H]1c2ccccc2NC[C@H]1O.
What is the InChIKey of (3S,4S)-4-[(1S)-1-hydroxyethyl]-1,2,3,4-tetrahydroquinolin-3-ol?
The InChIKey is GCHXPSOEMAKHKV-WHGOUJPWSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7(13)11-8-4-2-3-5-9(8)12-6-10(11)14/h2-5,7,10-14H,6H2,1H3/t7-,10+,11+/m0/s1.
What are the key properties of (3S,4S)-4-[(1S)-1-hydroxyethyl]-1,2,3,4-tetrahydroquinolin-3-ol?
(3S,4S)-4-[(1S)-1-hydroxyethyl]-1,2,3,4-tetrahydroquinolin-3-ol has a molecular weight of 193.25 g/mol, XLogP of 0.94, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[(1S)-1-hydroxyethyl]-1,2,3,4-tetrahydroquinolin-3-ol is sourced from PubChem (CID 121334777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).