(1R)-1-[2-(quinolin-4-ylmethoxy)phenyl]ethanol

C18H17NO2 — CID 79231192

IUPAC(1R)-1-[2-(quinolin-4-ylmethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1OCc1ccnc2ccccc12
InChIInChI=1S/C18H17NO2/c1-13(20)15-6-3-5-9-18(15)21-12-14-10-11-19-17-8-4-2-7-16(14)17/h2-11,13,20H,12H2,1H3/t13-/m1/s1
InChIKeyBCHYSUYQOMLEOT-CYBMUJFWSA-N
MW279.34 g/mol
LogP3.87
Rot. Bonds4

About (1R)-1-[2-(quinolin-4-ylmethoxy)phenyl]ethanol

(1R)-1-[2-(quinolin-4-ylmethoxy)phenyl]ethanol (PubChem CID 79231192) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (1R)-1-[2-(quinolin-4-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(quinolin-4-ylmethoxy)phenyl]ethanol
PubChem CID79231192
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(1R)-1-[2-(quinolin-4-ylmethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1OCc1ccnc2ccccc12
InChIInChI=1S/C18H17NO2/c1-13(20)15-6-3-5-9-18(15)21-12-14-10-11-19-17-8-4-2-7-16(14)17/h2-11,13,20H,12H2,1H3/t13-/m1/s1
InChIKeyBCHYSUYQOMLEOT-CYBMUJFWSA-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

(1S)-1-[2-(naphthalen-1-ylmethoxy)phenyl]ethanol
CID 78933829
(1S)-1-[2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 78931636
1-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]ethanol
CID 103173312
4-[(2-chlorophenoxy)methyl]quinoline
CID 79241295
(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanol
CID 78931579
1-[2-(quinolin-8-ylmethoxy)phenyl]ethanol
CID 43503960
1-[2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 114850092
(1R)-1-quinolin-5-ylethanol
CID 86326294
(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 63364801
1-[2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 43504033
1-[(2-propan-2-ylphenoxy)methyl]naphthalene
CID 60627391
(1S)-1-[2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 78931487

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(quinolin-4-ylmethoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[2-(quinolin-4-ylmethoxy)phenyl]ethanol (CID 79231192) is (1R)-1-[2-(quinolin-4-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(quinolin-4-ylmethoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(quinolin-4-ylmethoxy)phenyl]ethanol is C[C@@H](O)c1ccccc1OCc1ccnc2ccccc12.
What is the InChIKey of (1R)-1-[2-(quinolin-4-ylmethoxy)phenyl]ethanol?
The InChIKey is BCHYSUYQOMLEOT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13(20)15-6-3-5-9-18(15)21-12-14-10-11-19-17-8-4-2-7-16(14)17/h2-11,13,20H,12H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-1-[2-(quinolin-4-ylmethoxy)phenyl]ethanol?
(1R)-1-[2-(quinolin-4-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 (1R)-1-[2-(quinolin-4-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 79231192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).