2-(2-quinolin-2-ylethyl)phenol;hydrochloride

C17H16ClNO — CID 90025480

IUPAC2-(2-quinolin-2-ylethyl)phenol;hydrochloride
SMILESCl.Oc1ccccc1CCc1ccc2ccccc2n1
InChIInChI=1S/C17H15NO.ClH/c19-17-8-4-2-6-14(17)10-12-15-11-9-13-5-1-3-7-16(13)18-15;/h1-9,11,19H,10,12H2;1H
InChIKeyLNBAVZXTPJUODY-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.15
Rot. Bonds3

About 2-(2-quinolin-2-ylethyl)phenol;hydrochloride

2-(2-quinolin-2-ylethyl)phenol;hydrochloride (PubChem CID 90025480) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-(2-quinolin-2-ylethyl)phenol;hydrochloride.

Molecular Properties

Compound Name2-(2-quinolin-2-ylethyl)phenol;hydrochloride
PubChem CID90025480
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name2-(2-quinolin-2-ylethyl)phenol;hydrochloride
SMILESCl.Oc1ccccc1CCc1ccc2ccccc2n1
InChIInChI=1S/C17H15NO.ClH/c19-17-8-4-2-6-14(17)10-12-15-11-9-13-5-1-3-7-16(13)18-15;/h1-9,11,19H,10,12H2;1H
InChIKeyLNBAVZXTPJUODY-UHFFFAOYSA-N
XLogP4.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(iodomethyl)quinoline
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9-quinolin-2-ylnonan-1-ol
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2-(2-quinolin-2-ylethyl)-1,10-phenanthroline;hydrochloride
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CID 175749710
CID 175749710
3-(2-hydroxyphenyl)-N-quinolin-2-ylpropanamide
CID 46654912
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CID 89210421
CID 89210421
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Frequently Asked Questions

What is the IUPAC name of 2-(2-quinolin-2-ylethyl)phenol;hydrochloride?
The IUPAC name of 2-(2-quinolin-2-ylethyl)phenol;hydrochloride (CID 90025480) is 2-(2-quinolin-2-ylethyl)phenol;hydrochloride.
What is the SMILES notation for 2-(2-quinolin-2-ylethyl)phenol;hydrochloride?
The canonical SMILES for 2-(2-quinolin-2-ylethyl)phenol;hydrochloride is Cl.Oc1ccccc1CCc1ccc2ccccc2n1.
What is the InChIKey of 2-(2-quinolin-2-ylethyl)phenol;hydrochloride?
The InChIKey is LNBAVZXTPJUODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO.ClH/c19-17-8-4-2-6-14(17)10-12-15-11-9-13-5-1-3-7-16(13)18-15;/h1-9,11,19H,10,12H2;1H.
What are the key properties of 2-(2-quinolin-2-ylethyl)phenol;hydrochloride?
2-(2-quinolin-2-ylethyl)phenol;hydrochloride has a molecular weight of 285.77 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-quinolin-2-ylethyl)phenol;hydrochloride is sourced from PubChem (CID 90025480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).