[3-chloro-2-(quinolin-8-ylmethoxy)phenyl]methanol

C17H14ClNO2 — CID 115956285

IUPAC[3-chloro-2-(quinolin-8-ylmethoxy)phenyl]methanol
SMILESOCc1cccc(Cl)c1OCc1cccc2cccnc12
InChIInChI=1S/C17H14ClNO2/c18-15-8-2-5-13(10-20)17(15)21-11-14-6-1-4-12-7-3-9-19-16(12)14/h1-9,20H,10-11H2
InChIKeyRIUSBQOXXCXFCZ-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.96
Rot. Bonds4

About [3-chloro-2-(quinolin-8-ylmethoxy)phenyl]methanol

[3-chloro-2-(quinolin-8-ylmethoxy)phenyl]methanol (PubChem CID 115956285) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is [3-chloro-2-(quinolin-8-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-2-(quinolin-8-ylmethoxy)phenyl]methanol
PubChem CID115956285
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name[3-chloro-2-(quinolin-8-ylmethoxy)phenyl]methanol
SMILESOCc1cccc(Cl)c1OCc1cccc2cccnc12
InChIInChI=1S/C17H14ClNO2/c18-15-8-2-5-13(10-20)17(15)21-11-14-6-1-4-12-7-3-9-19-16(12)14/h1-9,20H,10-11H2
InChIKeyRIUSBQOXXCXFCZ-UHFFFAOYSA-N
XLogP3.96
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(2-chlorophenoxy)methyl]quinoline
CID 60705460
aluminum quinolin-8-ylmethanol
CID 23124809
[2-chloro-6-(quinolin-8-ylmethoxy)phenyl]methanamine
CID 114318357
8-[(2-chlorophenyl)methoxy]quinoline
CID 2110324
[3-chloro-2-[(2-methoxyphenyl)methoxy]phenyl]methanol
CID 112612839
[3-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 103046982
[3-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methanol
CID 115956286
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanol
CID 112612622
[3-chloro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol
CID 112612706
[2,3-bis[(2-chlorophenyl)methoxy]phenyl]methanol
CID 23590539
[3-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol
CID 112612639
8-[[4-(bromomethyl)-2-chlorophenoxy]methyl]quinoline
CID 63536066

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(quinolin-8-ylmethoxy)phenyl]methanol?
The IUPAC name of [3-chloro-2-(quinolin-8-ylmethoxy)phenyl]methanol (CID 115956285) is [3-chloro-2-(quinolin-8-ylmethoxy)phenyl]methanol.
What is the SMILES notation for [3-chloro-2-(quinolin-8-ylmethoxy)phenyl]methanol?
The canonical SMILES for [3-chloro-2-(quinolin-8-ylmethoxy)phenyl]methanol is OCc1cccc(Cl)c1OCc1cccc2cccnc12.
What is the InChIKey of [3-chloro-2-(quinolin-8-ylmethoxy)phenyl]methanol?
The InChIKey is RIUSBQOXXCXFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c18-15-8-2-5-13(10-20)17(15)21-11-14-6-1-4-12-7-3-9-19-16(12)14/h1-9,20H,10-11H2.
What are the key properties of [3-chloro-2-(quinolin-8-ylmethoxy)phenyl]methanol?
[3-chloro-2-(quinolin-8-ylmethoxy)phenyl]methanol has a molecular weight of 299.76 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(quinolin-8-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 115956285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).