[2-[3-(2-methylquinolin-8-yl)oxypropoxy]phenyl]methanol

C20H21NO3 — CID 2993392

IUPAC[2-[3-(2-methylquinolin-8-yl)oxypropoxy]phenyl]methanol
SMILESCc1ccc2cccc(OCCCOc3ccccc3CO)c2n1
InChIInChI=1S/C20H21NO3/c1-15-10-11-16-7-4-9-19(20(16)21-15)24-13-5-12-23-18-8-3-2-6-17(18)14-22/h2-4,6-11,22H,5,12-14H2,1H3
InChIKeyGYLIODDWNQLVJC-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.88
Rot. Bonds7

About [2-[3-(2-methylquinolin-8-yl)oxypropoxy]phenyl]methanol

[2-[3-(2-methylquinolin-8-yl)oxypropoxy]phenyl]methanol (PubChem CID 2993392) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is [2-[3-(2-methylquinolin-8-yl)oxypropoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-[3-(2-methylquinolin-8-yl)oxypropoxy]phenyl]methanol
PubChem CID2993392
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name[2-[3-(2-methylquinolin-8-yl)oxypropoxy]phenyl]methanol
SMILESCc1ccc2cccc(OCCCOc3ccccc3CO)c2n1
InChIInChI=1S/C20H21NO3/c1-15-10-11-16-7-4-9-19(20(16)21-15)24-13-5-12-23-18-8-3-2-6-17(18)14-22/h2-4,6-11,22H,5,12-14H2,1H3
InChIKeyGYLIODDWNQLVJC-UHFFFAOYSA-N
XLogP3.88
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(2-methylquinolin-8-yl)oxypropoxy]phenyl]methanol?
The IUPAC name of [2-[3-(2-methylquinolin-8-yl)oxypropoxy]phenyl]methanol (CID 2993392) is [2-[3-(2-methylquinolin-8-yl)oxypropoxy]phenyl]methanol.
What is the SMILES notation for [2-[3-(2-methylquinolin-8-yl)oxypropoxy]phenyl]methanol?
The canonical SMILES for [2-[3-(2-methylquinolin-8-yl)oxypropoxy]phenyl]methanol is Cc1ccc2cccc(OCCCOc3ccccc3CO)c2n1.
What is the InChIKey of [2-[3-(2-methylquinolin-8-yl)oxypropoxy]phenyl]methanol?
The InChIKey is GYLIODDWNQLVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-15-10-11-16-7-4-9-19(20(16)21-15)24-13-5-12-23-18-8-3-2-6-17(18)14-22/h2-4,6-11,22H,5,12-14H2,1H3.
What are the key properties of [2-[3-(2-methylquinolin-8-yl)oxypropoxy]phenyl]methanol?
[2-[3-(2-methylquinolin-8-yl)oxypropoxy]phenyl]methanol has a molecular weight of 323.39 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2-methylquinolin-8-yl)oxypropoxy]phenyl]methanol is sourced from PubChem (CID 2993392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).