(4-bromo-2-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol

C17H18BrNO2 — CID 115818225

IUPAC(4-bromo-2-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESCOc1cc(Br)ccc1C(O)C1CCCc2cccnc21
InChIInChI=1S/C17H18BrNO2/c1-21-15-10-12(18)7-8-13(15)17(20)14-6-2-4-11-5-3-9-19-16(11)14/h3,5,7-10,14,17,20H,2,4,6H2,1H3
InChIKeyHNMJARANOKGGEI-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.01
Rot. Bonds3

About (4-bromo-2-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol

(4-bromo-2-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol (PubChem CID 115818225) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
PubChem CID115818225
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name(4-bromo-2-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESCOc1cc(Br)ccc1C(O)C1CCCc2cccnc21
InChIInChI=1S/C17H18BrNO2/c1-21-15-10-12(18)7-8-13(15)17(20)14-6-2-4-11-5-3-9-19-16(11)14/h3,5,7-10,14,17,20H,2,4,6H2,1H3
InChIKeyHNMJARANOKGGEI-UHFFFAOYSA-N
XLogP4.01
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-bromo-2-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol with MolForge

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Related Compounds

(5-bromo-2-methoxyphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol
CID 79740006
(3-fluoro-4-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79723755
[2-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79721807
(5-chloro-2-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 115818347
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,6-dimethoxyphenyl)methanol
CID 115819406
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
(2,5-dichlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 115818219
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
phenyl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739489
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
[4-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79723636

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol (CID 115818225) is (4-bromo-2-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol is COc1cc(Br)ccc1C(O)C1CCCc2cccnc21.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The InChIKey is HNMJARANOKGGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-21-15-10-12(18)7-8-13(15)17(20)14-6-2-4-11-5-3-9-19-16(11)14/h3,5,7-10,14,17,20H,2,4,6H2,1H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
(4-bromo-2-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol has a molecular weight of 348.24 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol is sourced from PubChem (CID 115818225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).