7-[methoxy-(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinolin-8-ol

C18H21NO3 — CID 90914903

IUPAC7-[methoxy-(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinolin-8-ol
SMILESCOc1ccc(C(OC)c2ccc3c(c2O)NCCC3)cc1
InChIInChI=1S/C18H21NO3/c1-21-14-8-5-13(6-9-14)18(22-2)15-10-7-12-4-3-11-19-16(12)17(15)20/h5-10,18-20H,3-4,11H2,1-2H3
InChIKeyILYUDFMIBOYUTE-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.49
Rot. Bonds4

About 7-[methoxy-(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinolin-8-ol

7-[methoxy-(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinolin-8-ol (PubChem CID 90914903) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 7-[methoxy-(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinolin-8-ol.

Molecular Properties

Compound Name7-[methoxy-(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinolin-8-ol
PubChem CID90914903
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name7-[methoxy-(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinolin-8-ol
SMILESCOc1ccc(C(OC)c2ccc3c(c2O)NCCC3)cc1
InChIInChI=1S/C18H21NO3/c1-21-14-8-5-13(6-9-14)18(22-2)15-10-7-12-4-3-11-19-16(12)17(15)20/h5-10,18-20H,3-4,11H2,1-2H3
InChIKeyILYUDFMIBOYUTE-UHFFFAOYSA-N
XLogP3.49
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine
CID 84656610
7-propyl-1,2,3,4-tetrahydroquinolin-8-ol
CID 119085826
8,9-dimethoxy-1,2,3,4-tetrahydrobenzo[h]quinoline
CID 15402109
7-[(3-ethoxy-4-hydroxyphenyl)-(piperidin-3-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-8-ol
CID 126659927
8-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 115505142
5-[bromo-(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 63437562
8-bromo-6-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 121231740
6-methyl-2,3-dihydro-1H-indol-7-ol
CID 84649314
(2-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 61082278
(3Z)-1-chloro-1,1-difluoro-N-(4-methoxyphenyl)-3-pyrrolidin-2-ylidenepropan-2-imine
CID 135471423
9-methyl-1,2,3,4-tetrahydro-1,10-phenanthroline
CID 129308037
(8-methyl-1,2,3,4-tetrahydroquinolin-7-yl)methanol
CID 59369005

Frequently Asked Questions

What is the IUPAC name of 7-[methoxy-(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinolin-8-ol?
The IUPAC name of 7-[methoxy-(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinolin-8-ol (CID 90914903) is 7-[methoxy-(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinolin-8-ol.
What is the SMILES notation for 7-[methoxy-(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinolin-8-ol?
The canonical SMILES for 7-[methoxy-(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinolin-8-ol is COc1ccc(C(OC)c2ccc3c(c2O)NCCC3)cc1.
What is the InChIKey of 7-[methoxy-(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinolin-8-ol?
The InChIKey is ILYUDFMIBOYUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-21-14-8-5-13(6-9-14)18(22-2)15-10-7-12-4-3-11-19-16(12)17(15)20/h5-10,18-20H,3-4,11H2,1-2H3.
What are the key properties of 7-[methoxy-(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinolin-8-ol?
7-[methoxy-(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinolin-8-ol has a molecular weight of 299.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[methoxy-(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroquinolin-8-ol is sourced from PubChem (CID 90914903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).