[3-bromo-4-(quinolin-4-ylmethoxy)phenyl]methanol

C17H14BrNO2 — CID 79231186

IUPAC[3-bromo-4-(quinolin-4-ylmethoxy)phenyl]methanol
SMILESOCc1ccc(OCc2ccnc3ccccc23)c(Br)c1
InChIInChI=1S/C17H14BrNO2/c18-15-9-12(10-20)5-6-17(15)21-11-13-7-8-19-16-4-2-1-3-14(13)16/h1-9,20H,10-11H2
InChIKeyGKFCBWKPDLAZQT-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.07
Rot. Bonds4

About [3-bromo-4-(quinolin-4-ylmethoxy)phenyl]methanol

[3-bromo-4-(quinolin-4-ylmethoxy)phenyl]methanol (PubChem CID 79231186) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is [3-bromo-4-(quinolin-4-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-4-(quinolin-4-ylmethoxy)phenyl]methanol
PubChem CID79231186
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name[3-bromo-4-(quinolin-4-ylmethoxy)phenyl]methanol
SMILESOCc1ccc(OCc2ccnc3ccccc23)c(Br)c1
InChIInChI=1S/C17H14BrNO2/c18-15-9-12(10-20)5-6-17(15)21-11-13-7-8-19-16-4-2-1-3-14(13)16/h1-9,20H,10-11H2
InChIKeyGKFCBWKPDLAZQT-UHFFFAOYSA-N
XLogP4.07
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-bromo-4-(quinolin-4-ylmethoxy)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-chlorophenoxy)methyl]quinoline
CID 79241295
3-fluoro-4-(quinolin-4-ylmethoxy)aniline
CID 79235627
4-[[2-bromo-6-(bromomethyl)phenoxy]methyl]quinoline
CID 79231445
[3-bromo-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 114850115
3-chloro-4-(quinolin-4-ylmethoxy)benzonitrile
CID 79230623
(1R)-1-[2-(quinolin-4-ylmethoxy)phenyl]ethanol
CID 79231192
4-(quinolin-4-ylmethyl)phenol
CID 83128983
[3-bromo-4-(2-phenylethoxy)phenyl]methanol
CID 63050620
[3-bromo-4-(2-phenoxyethoxy)phenyl]methanol
CID 55146760
3,5-dichloro-4-(quinolin-4-ylmethoxy)aniline
CID 79234359
[3-bromo-4-(3-phenylpropoxy)phenyl]methanol
CID 63051637
1-[3-bromo-4-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 55145987

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(quinolin-4-ylmethoxy)phenyl]methanol?
The IUPAC name of [3-bromo-4-(quinolin-4-ylmethoxy)phenyl]methanol (CID 79231186) is [3-bromo-4-(quinolin-4-ylmethoxy)phenyl]methanol.
What is the SMILES notation for [3-bromo-4-(quinolin-4-ylmethoxy)phenyl]methanol?
The canonical SMILES for [3-bromo-4-(quinolin-4-ylmethoxy)phenyl]methanol is OCc1ccc(OCc2ccnc3ccccc23)c(Br)c1.
What is the InChIKey of [3-bromo-4-(quinolin-4-ylmethoxy)phenyl]methanol?
The InChIKey is GKFCBWKPDLAZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c18-15-9-12(10-20)5-6-17(15)21-11-13-7-8-19-16-4-2-1-3-14(13)16/h1-9,20H,10-11H2.
What are the key properties of [3-bromo-4-(quinolin-4-ylmethoxy)phenyl]methanol?
[3-bromo-4-(quinolin-4-ylmethoxy)phenyl]methanol has a molecular weight of 344.21 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(quinolin-4-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 79231186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).