3-phenylmethoxyquinoline

C16H13NO — CID 102847077

IUPAC3-phenylmethoxyquinoline
SMILESc1ccc(COc2cnc3ccccc3c2)cc1
InChIInChI=1S/C16H13NO/c1-2-6-13(7-3-1)12-18-15-10-14-8-4-5-9-16(14)17-11-15/h1-11H,12H2
InChIKeyRHWYSPPYRCBHPU-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.81
Rot. Bonds3

About 3-phenylmethoxyquinoline

3-phenylmethoxyquinoline (PubChem CID 102847077) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-phenylmethoxyquinoline.

Molecular Properties

Compound Name3-phenylmethoxyquinoline
PubChem CID102847077
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name3-phenylmethoxyquinoline
SMILESc1ccc(COc2cnc3ccccc3c2)cc1
InChIInChI=1S/C16H13NO/c1-2-6-13(7-3-1)12-18-15-10-14-8-4-5-9-16(14)17-11-15/h1-11H,12H2
InChIKeyRHWYSPPYRCBHPU-UHFFFAOYSA-N
XLogP3.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzoxiquine
CID 6855
3-Hydroxyquinoline
CID 11376
alpha-Pentyl-3-(2-quinolinylmethoxy)benzenemethanol
CID 5059
6-Methoxyquinoline
CID 14860
Quintiofos
CID 72069
8-Acetoxyquinoline
CID 75777
8-Methoxy-2-Methylquinoline
CID 316986
5-Chloro-8-phenoxyquinoline
CID 2767025
4-Methoxy-2-Phenylquinoline
CID 826247
7-Benzyloxyquinoline
CID 3035604
8-Quinolyl N-(2-methoxyphenyl)carbamate
CID 3329723
8-Methoxyquinoline
CID 70310

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxyquinoline?
The IUPAC name of 3-phenylmethoxyquinoline (CID 102847077) is 3-phenylmethoxyquinoline.
What is the SMILES notation for 3-phenylmethoxyquinoline?
The canonical SMILES for 3-phenylmethoxyquinoline is c1ccc(COc2cnc3ccccc3c2)cc1.
What is the InChIKey of 3-phenylmethoxyquinoline?
The InChIKey is RHWYSPPYRCBHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-2-6-13(7-3-1)12-18-15-10-14-8-4-5-9-16(14)17-11-15/h1-11H,12H2.
What are the key properties of 3-phenylmethoxyquinoline?
3-phenylmethoxyquinoline has a molecular weight of 235.29 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxyquinoline is sourced from PubChem (CID 102847077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).