[2-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol

C18H21NO2 — CID 79721807

IUPAC[2-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESCOCc1ccccc1C(O)C1CCCc2cccnc21
InChIInChI=1S/C18H21NO2/c1-21-12-14-6-2-3-9-15(14)18(20)16-10-4-7-13-8-5-11-19-17(13)16/h2-3,5-6,8-9,11,16,18,20H,4,7,10,12H2,1H3
InChIKeyNNAMIJCCOADYKR-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.38
Rot. Bonds4

About [2-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol

[2-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol (PubChem CID 79721807) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is [2-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol.

Molecular Properties

Compound Name[2-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
PubChem CID79721807
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name[2-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESCOCc1ccccc1C(O)C1CCCc2cccnc21
InChIInChI=1S/C18H21NO2/c1-21-12-14-6-2-3-9-15(14)18(20)16-10-4-7-13-8-5-11-19-17(13)16/h2-3,5-6,8-9,11,16,18,20H,4,7,10,12H2,1H3
InChIKeyNNAMIJCCOADYKR-UHFFFAOYSA-N
XLogP3.38
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The IUPAC name of [2-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol (CID 79721807) is [2-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol.
What is the SMILES notation for [2-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The canonical SMILES for [2-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol is COCc1ccccc1C(O)C1CCCc2cccnc21.
What is the InChIKey of [2-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The InChIKey is NNAMIJCCOADYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-21-12-14-6-2-3-9-15(14)18(20)16-10-4-7-13-8-5-11-19-17(13)16/h2-3,5-6,8-9,11,16,18,20H,4,7,10,12H2,1H3.
What are the key properties of [2-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
[2-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol has a molecular weight of 283.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol is sourced from PubChem (CID 79721807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).