(5-chloro-2-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol

C17H18ClNO — CID 115818347

IUPAC(5-chloro-2-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESCc1ccc(Cl)cc1C(O)C1CCCc2cccnc21
InChIInChI=1S/C17H18ClNO/c1-11-7-8-13(18)10-15(11)17(20)14-6-2-4-12-5-3-9-19-16(12)14/h3,5,7-10,14,17,20H,2,4,6H2,1H3
InChIKeyJULJPMOADNHLNX-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.20
Rot. Bonds2

About (5-chloro-2-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol

(5-chloro-2-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol (PubChem CID 115818347) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
PubChem CID115818347
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name(5-chloro-2-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESCc1ccc(Cl)cc1C(O)C1CCCc2cccnc21
InChIInChI=1S/C17H18ClNO/c1-11-7-8-13(18)10-15(11)17(20)14-6-2-4-12-5-3-9-19-16(12)14/h3,5,7-10,14,17,20H,2,4,6H2,1H3
InChIKeyJULJPMOADNHLNX-UHFFFAOYSA-N
XLogP4.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dichlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 115818219
(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 105111318
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
phenyl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739489
(2,6-difluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739199
[2-(methoxymethyl)phenyl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79721807
(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
(3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79721633
1-(3-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748499
(3-fluoro-4-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79723755

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The IUPAC name of (5-chloro-2-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol (CID 115818347) is (5-chloro-2-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol.
What is the SMILES notation for (5-chloro-2-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The canonical SMILES for (5-chloro-2-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol is Cc1ccc(Cl)cc1C(O)C1CCCc2cccnc21.
What is the InChIKey of (5-chloro-2-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The InChIKey is JULJPMOADNHLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-11-7-8-13(18)10-15(11)17(20)14-6-2-4-12-5-3-9-19-16(12)14/h3,5,7-10,14,17,20H,2,4,6H2,1H3.
What are the key properties of (5-chloro-2-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
(5-chloro-2-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol has a molecular weight of 287.79 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol is sourced from PubChem (CID 115818347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).