(1R)-1-(3-bromo-4-quinolin-7-yloxyphenyl)ethanol

C17H14BrNO2 — CID 107314104

IUPAC(1R)-1-(3-bromo-4-quinolin-7-yloxyphenyl)ethanol
SMILESC[C@@H](O)c1ccc(Oc2ccc3cccnc3c2)c(Br)c1
InChIInChI=1S/C17H14BrNO2/c1-11(20)13-5-7-17(15(18)9-13)21-14-6-4-12-3-2-8-19-16(12)10-14/h2-11,20H,1H3/t11-/m1/s1
InChIKeyODMADMFUBGUIDD-LLVKDONJSA-N
MW344.21 g/mol
LogP4.84
Rot. Bonds3

About (1R)-1-(3-bromo-4-quinolin-7-yloxyphenyl)ethanol

(1R)-1-(3-bromo-4-quinolin-7-yloxyphenyl)ethanol (PubChem CID 107314104) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is (1R)-1-(3-bromo-4-quinolin-7-yloxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(3-bromo-4-quinolin-7-yloxyphenyl)ethanol
PubChem CID107314104
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name(1R)-1-(3-bromo-4-quinolin-7-yloxyphenyl)ethanol
SMILESC[C@@H](O)c1ccc(Oc2ccc3cccnc3c2)c(Br)c1
InChIInChI=1S/C17H14BrNO2/c1-11(20)13-5-7-17(15(18)9-13)21-14-6-4-12-3-2-8-19-16(12)10-14/h2-11,20H,1H3/t11-/m1/s1
InChIKeyODMADMFUBGUIDD-LLVKDONJSA-N
XLogP4.84
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanol
CID 78941748
(3-bromo-4-methoxyphenyl)-quinolin-7-ylmethanol
CID 81196495
(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanol
CID 55183060
(1S)-1-[3-bromo-4-(4-tert-butylphenoxy)phenyl]ethanol
CID 78944751
1-[3-bromo-4-(4-chloro-3-methylphenoxy)phenyl]ethanol
CID 63539732
1-[3-bromo-4-(4-chloro-3-fluorophenoxy)phenyl]ethanol
CID 82716734
(1S)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanol
CID 55221480
7-[2-(bromomethyl)phenoxy]quinoline
CID 107314164
(1R)-1-(2-quinolin-7-yloxy-4-pyridinyl)ethanamine
CID 107313902
5-amino-2-quinolin-7-yloxybenzoic acid
CID 107314381
7-[(3-bromo-4-methoxyphenyl)methoxy]quinoline
CID 107314495
(1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol
CID 104893650

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-4-quinolin-7-yloxyphenyl)ethanol?
The IUPAC name of (1R)-1-(3-bromo-4-quinolin-7-yloxyphenyl)ethanol (CID 107314104) is (1R)-1-(3-bromo-4-quinolin-7-yloxyphenyl)ethanol.
What is the SMILES notation for (1R)-1-(3-bromo-4-quinolin-7-yloxyphenyl)ethanol?
The canonical SMILES for (1R)-1-(3-bromo-4-quinolin-7-yloxyphenyl)ethanol is C[C@@H](O)c1ccc(Oc2ccc3cccnc3c2)c(Br)c1.
What is the InChIKey of (1R)-1-(3-bromo-4-quinolin-7-yloxyphenyl)ethanol?
The InChIKey is ODMADMFUBGUIDD-LLVKDONJSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-11(20)13-5-7-17(15(18)9-13)21-14-6-4-12-3-2-8-19-16(12)10-14/h2-11,20H,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-(3-bromo-4-quinolin-7-yloxyphenyl)ethanol?
(1R)-1-(3-bromo-4-quinolin-7-yloxyphenyl)ethanol has a molecular weight of 344.21 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromo-4-quinolin-7-yloxyphenyl)ethanol is sourced from PubChem (CID 107314104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).