(3-fluoro-4-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol

C17H18FNO2 — CID 79723755

IUPAC(3-fluoro-4-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESCOc1ccc(C(O)C2CCCc3cccnc32)cc1F
InChIInChI=1S/C17H18FNO2/c1-21-15-8-7-12(10-14(15)18)17(20)13-6-2-4-11-5-3-9-19-16(11)13/h3,5,7-10,13,17,20H,2,4,6H2,1H3
InChIKeyPHBBWOLEERKFHL-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.38
Rot. Bonds3

About (3-fluoro-4-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol

(3-fluoro-4-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol (PubChem CID 79723755) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
PubChem CID79723755
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name(3-fluoro-4-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESCOc1ccc(C(O)C2CCCc3cccnc32)cc1F
InChIInChI=1S/C17H18FNO2/c1-21-15-8-7-12(10-14(15)18)17(20)13-6-2-4-11-5-3-9-19-16(11)13/h3,5,7-10,13,17,20H,2,4,6H2,1H3
InChIKeyPHBBWOLEERKFHL-UHFFFAOYSA-N
XLogP3.38
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-difluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739199
[4-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79723636
(4-bromo-2-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 115818225
(3-aminophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 106695855
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3,4,5-trifluorophenyl)methanol
CID 79739398
(5-fluoro-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 105111410
(3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79721633
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773190
4-[hydroxy(5,6,7,8-tetrahydroquinolin-8-yl)methyl]benzonitrile
CID 115481009
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
(5-bromo-2-methoxyphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol
CID 79740006

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol (CID 79723755) is (3-fluoro-4-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol is COc1ccc(C(O)C2CCCc3cccnc32)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The InChIKey is PHBBWOLEERKFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-21-15-8-7-12(10-14(15)18)17(20)13-6-2-4-11-5-3-9-19-16(11)13/h3,5,7-10,13,17,20H,2,4,6H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
(3-fluoro-4-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol has a molecular weight of 287.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol is sourced from PubChem (CID 79723755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).