[1-[(4-bromophenyl)methoxy]isoquinolin-4-yl]methanol

C17H14BrNO2 — CID 106768840

IUPAC[1-[(4-bromophenyl)methoxy]isoquinolin-4-yl]methanol
SMILESOCc1cnc(OCc2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C17H14BrNO2/c18-14-7-5-12(6-8-14)11-21-17-16-4-2-1-3-15(16)13(10-20)9-19-17/h1-9,20H,10-11H2
InChIKeyPMENUXYFSSBYTL-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.07
Rot. Bonds4

About [1-[(4-bromophenyl)methoxy]isoquinolin-4-yl]methanol

[1-[(4-bromophenyl)methoxy]isoquinolin-4-yl]methanol (PubChem CID 106768840) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is [1-[(4-bromophenyl)methoxy]isoquinolin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-bromophenyl)methoxy]isoquinolin-4-yl]methanol
PubChem CID106768840
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name[1-[(4-bromophenyl)methoxy]isoquinolin-4-yl]methanol
SMILESOCc1cnc(OCc2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C17H14BrNO2/c18-14-7-5-12(6-8-14)11-21-17-16-4-2-1-3-15(16)13(10-20)9-19-17/h1-9,20H,10-11H2
InChIKeyPMENUXYFSSBYTL-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

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Related Compounds

1-[(3-bromophenyl)methoxy]-4-(chloromethyl)isoquinoline
CID 106769651
[4-[(4-bromophenyl)methoxy]quinolin-3-yl]methanamine
CID 82804822
1-[(2-bromophenyl)methoxy]-4-(chloromethyl)isoquinoline
CID 106769652
[1-(2-piperidin-1-ylethoxy)isoquinolin-4-yl]methanol
CID 106768736
(2-phenylmethoxy-3-pyridinyl)methanol
CID 59210835
4-[(4-bromophenyl)methoxy]-5-chloropyrimidin-2-amine
CID 82825368
7-bromo-1-phenylmethoxyisoquinoline
CID 86710700
[4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol
CID 112630832
N-[[2-[(4-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 82832365
[4-(hydroxymethyl)-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol
CID 820399
4-[(4-bromophenyl)methoxy]-6-chloro-5-methoxypyrimidine
CID 82823540
1-bromo-4-[[2-(bromomethyl)phenoxy]methyl]benzene
CID 43141593

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromophenyl)methoxy]isoquinolin-4-yl]methanol?
The IUPAC name of [1-[(4-bromophenyl)methoxy]isoquinolin-4-yl]methanol (CID 106768840) is [1-[(4-bromophenyl)methoxy]isoquinolin-4-yl]methanol.
What is the SMILES notation for [1-[(4-bromophenyl)methoxy]isoquinolin-4-yl]methanol?
The canonical SMILES for [1-[(4-bromophenyl)methoxy]isoquinolin-4-yl]methanol is OCc1cnc(OCc2ccc(Br)cc2)c2ccccc12.
What is the InChIKey of [1-[(4-bromophenyl)methoxy]isoquinolin-4-yl]methanol?
The InChIKey is PMENUXYFSSBYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c18-14-7-5-12(6-8-14)11-21-17-16-4-2-1-3-15(16)13(10-20)9-19-17/h1-9,20H,10-11H2.
What are the key properties of [1-[(4-bromophenyl)methoxy]isoquinolin-4-yl]methanol?
[1-[(4-bromophenyl)methoxy]isoquinolin-4-yl]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 [1-[(4-bromophenyl)methoxy]isoquinolin-4-yl]methanol is sourced from PubChem (CID 106768840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).