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

C16H15Cl2NO — CID 115818219

IUPAC(2,5-dichlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESOC(c1cc(Cl)ccc1Cl)C1CCCc2cccnc21
InChIInChI=1S/C16H15Cl2NO/c17-11-6-7-14(18)13(9-11)16(20)12-5-1-3-10-4-2-8-19-15(10)12/h2,4,6-9,12,16,20H,1,3,5H2
InChIKeyRYUWJMKVFJCGQG-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.54
Rot. Bonds2

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

(2,5-dichlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol (PubChem CID 115818219) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
PubChem CID115818219
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name(2,5-dichlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESOC(c1cc(Cl)ccc1Cl)C1CCCc2cccnc21
InChIInChI=1S/C16H15Cl2NO/c17-11-6-7-14(18)13(9-11)16(20)12-5-1-3-10-4-2-8-19-15(10)12/h2,4,6-9,12,16,20H,1,3,5H2
InChIKeyRYUWJMKVFJCGQG-UHFFFAOYSA-N
XLogP4.54
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 115818347
(3-chloro-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 105111318
phenyl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739489
(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
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
(3,5-dichloro-2-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol
CID 79781088
[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
4-[hydroxy(5,6,7,8-tetrahydroquinolin-8-yl)methyl]benzonitrile
CID 115481009
(5-chloro-2-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 114885899

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The IUPAC name of (2,5-dichlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol (CID 115818219) is (2,5-dichlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol.
What is the SMILES notation for (2,5-dichlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The canonical SMILES for (2,5-dichlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol is OC(c1cc(Cl)ccc1Cl)C1CCCc2cccnc21.
What is the InChIKey of (2,5-dichlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The InChIKey is RYUWJMKVFJCGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c17-11-6-7-14(18)13(9-11)16(20)12-5-1-3-10-4-2-8-19-15(10)12/h2,4,6-9,12,16,20H,1,3,5H2.
What are the key properties of (2,5-dichlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
(2,5-dichlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol has a molecular weight of 308.21 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol is sourced from PubChem (CID 115818219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).