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

C18H21NO2 — CID 79723636

IUPAC[4-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESCOCc1ccc(C(O)C2CCCc3cccnc32)cc1
InChIInChI=1S/C18H21NO2/c1-21-12-13-7-9-15(10-8-13)18(20)16-6-2-4-14-5-3-11-19-17(14)16/h3,5,7-11,16,18,20H,2,4,6,12H2,1H3
InChIKeyAGJKECBNMMLSES-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.38
Rot. Bonds4

About [4-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol

[4-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol (PubChem CID 79723636) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is [4-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol.

Molecular Properties

Compound Name[4-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
PubChem CID79723636
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name[4-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESCOCc1ccc(C(O)C2CCCc3cccnc32)cc1
InChIInChI=1S/C18H21NO2/c1-21-12-13-7-9-15(10-8-13)18(20)16-6-2-4-14-5-3-11-19-17(14)16/h3,5,7-11,16,18,20H,2,4,6,12H2,1H3
InChIKeyAGJKECBNMMLSES-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

Analyze [4-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol with MolForge

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Related Compounds

[2-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79721807
phenyl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739489
4-[hydroxy(5,6,7,8-tetrahydroquinolin-8-yl)methyl]benzonitrile
CID 115481009
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethoxyphenyl)methanol
CID 79739385
(3-fluoro-4-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79723755
3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol
CID 79746208
(3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79721633
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
(3-aminophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 106695855
(2,6-difluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739199
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
2-methoxy-3,3-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol
CID 116713188

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The IUPAC name of [4-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol (CID 79723636) is [4-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol.
What is the SMILES notation for [4-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The canonical SMILES for [4-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol is COCc1ccc(C(O)C2CCCc3cccnc32)cc1.
What is the InChIKey of [4-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The InChIKey is AGJKECBNMMLSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-21-12-13-7-9-15(10-8-13)18(20)16-6-2-4-14-5-3-11-19-17(14)16/h3,5,7-11,16,18,20H,2,4,6,12H2,1H3.
What are the key properties of [4-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
[4-(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 [4-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol is sourced from PubChem (CID 79723636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).