(1S)-1-[4-(quinolin-6-ylmethoxy)phenyl]ethanol

C18H17NO2 — CID 78933378

IUPAC(1S)-1-[4-(quinolin-6-ylmethoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccc(OCc2ccc3ncccc3c2)cc1
InChIInChI=1S/C18H17NO2/c1-13(20)15-5-7-17(8-6-15)21-12-14-4-9-18-16(11-14)3-2-10-19-18/h2-11,13,20H,12H2,1H3/t13-/m0/s1
InChIKeyIIQNDYHNSVYIHX-ZDUSSCGKSA-N
MW279.34 g/mol
LogP3.87
Rot. Bonds4

About (1S)-1-[4-(quinolin-6-ylmethoxy)phenyl]ethanol

(1S)-1-[4-(quinolin-6-ylmethoxy)phenyl]ethanol (PubChem CID 78933378) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (1S)-1-[4-(quinolin-6-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(quinolin-6-ylmethoxy)phenyl]ethanol
PubChem CID78933378
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(1S)-1-[4-(quinolin-6-ylmethoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccc(OCc2ccc3ncccc3c2)cc1
InChIInChI=1S/C18H17NO2/c1-13(20)15-5-7-17(8-6-15)21-12-14-4-9-18-16(11-14)3-2-10-19-18/h2-11,13,20H,12H2,1H3/t13-/m0/s1
InChIKeyIIQNDYHNSVYIHX-ZDUSSCGKSA-N
XLogP3.87
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 43503736
[4-(quinolin-6-yloxymethyl)phenyl]methanol
CID 110005974
(1S)-1-[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol
CID 78933373
6-[(4-fluorophenyl)methoxy]quinoline
CID 60595158
(4-ethylphenyl)-quinolin-6-ylmethanol
CID 62876415
(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 78930281
6-[(1-ethylpyrazol-4-yl)oxymethyl]quinoline
CID 116804581
1-quinolin-6-ylbutane-1,2-diol
CID 103454747
(1S)-1-[4-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol
CID 78930231
1-[methyl(quinolin-6-ylmethyl)amino]propan-2-ol
CID 62335047
2-phenoxy-1-quinolin-6-ylethanol
CID 81220739
6-[(6-chloropyridazin-4-yl)oxymethyl]quinoline
CID 171090319

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(quinolin-6-ylmethoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[4-(quinolin-6-ylmethoxy)phenyl]ethanol (CID 78933378) is (1S)-1-[4-(quinolin-6-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(quinolin-6-ylmethoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-(quinolin-6-ylmethoxy)phenyl]ethanol is C[C@H](O)c1ccc(OCc2ccc3ncccc3c2)cc1.
What is the InChIKey of (1S)-1-[4-(quinolin-6-ylmethoxy)phenyl]ethanol?
The InChIKey is IIQNDYHNSVYIHX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13(20)15-5-7-17(8-6-15)21-12-14-4-9-18-16(11-14)3-2-10-19-18/h2-11,13,20H,12H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-[4-(quinolin-6-ylmethoxy)phenyl]ethanol?
(1S)-1-[4-(quinolin-6-ylmethoxy)phenyl]ethanol has a molecular weight of 279.34 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(quinolin-6-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 78933378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).