(1S)-1-[3-chloro-4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol

C17H18ClNO — CID 78939334

IUPAC(1S)-1-[3-chloro-4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol
SMILESC[C@H](O)c1ccc(N2CCCc3ccccc32)c(Cl)c1
InChIInChI=1S/C17H18ClNO/c1-12(20)14-8-9-17(15(18)11-14)19-10-4-6-13-5-2-3-7-16(13)19/h2-3,5,7-9,11-12,20H,4,6,10H2,1H3/t12-/m0/s1
InChIKeyNLBJZLJRUHSCKH-LBPRGKRZSA-N
MW287.79 g/mol
LogP4.48
Rot. Bonds2

About (1S)-1-[3-chloro-4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol

(1S)-1-[3-chloro-4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol (PubChem CID 78939334) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is (1S)-1-[3-chloro-4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-chloro-4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol
PubChem CID78939334
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name(1S)-1-[3-chloro-4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol
SMILESC[C@H](O)c1ccc(N2CCCc3ccccc32)c(Cl)c1
InChIInChI=1S/C17H18ClNO/c1-12(20)14-8-9-17(15(18)11-14)19-10-4-6-13-5-2-3-7-16(13)19/h2-3,5,7-9,11-12,20H,4,6,10H2,1H3/t12-/m0/s1
InChIKeyNLBJZLJRUHSCKH-LBPRGKRZSA-N
XLogP4.48
TPSA23.47 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 ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-chloro-4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol?
The IUPAC name of (1S)-1-[3-chloro-4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol (CID 78939334) is (1S)-1-[3-chloro-4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-chloro-4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-chloro-4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol is C[C@H](O)c1ccc(N2CCCc3ccccc32)c(Cl)c1.
What is the InChIKey of (1S)-1-[3-chloro-4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol?
The InChIKey is NLBJZLJRUHSCKH-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-12(20)14-8-9-17(15(18)11-14)19-10-4-6-13-5-2-3-7-16(13)19/h2-3,5,7-9,11-12,20H,4,6,10H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-[3-chloro-4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol?
(1S)-1-[3-chloro-4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol has a molecular weight of 287.79 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-chloro-4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol is sourced from PubChem (CID 78939334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).