2-ethoxy-4-(1-methylbenzo[f]quinolin-3-yl)phenol

C22H19NO2 — CID 769193

IUPAC2-ethoxy-4-(1-methylbenzo[f]quinolin-3-yl)phenol
SMILESCCOc1cc(-c2cc(C)c3c(ccc4ccccc43)n2)ccc1O
InChIInChI=1S/C22H19NO2/c1-3-25-21-13-16(9-11-20(21)24)19-12-14(2)22-17-7-5-4-6-15(17)8-10-18(22)23-19/h4-13,24H,3H2,1-2H3
InChIKeyFWFSKMCBLMXJOB-UHFFFAOYSA-N
MW329.40 g/mol
LogP5.47
Rot. Bonds3

About 2-ethoxy-4-(1-methylbenzo[f]quinolin-3-yl)phenol

2-ethoxy-4-(1-methylbenzo[f]quinolin-3-yl)phenol (PubChem CID 769193) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-ethoxy-4-(1-methylbenzo[f]quinolin-3-yl)phenol.

Molecular Properties

Compound Name2-ethoxy-4-(1-methylbenzo[f]quinolin-3-yl)phenol
PubChem CID769193
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name2-ethoxy-4-(1-methylbenzo[f]quinolin-3-yl)phenol
SMILESCCOc1cc(-c2cc(C)c3c(ccc4ccccc43)n2)ccc1O
InChIInChI=1S/C22H19NO2/c1-3-25-21-13-16(9-11-20(21)24)19-12-14(2)22-17-7-5-4-6-15(17)8-10-18(22)23-19/h4-13,24H,3H2,1-2H3
InChIKeyFWFSKMCBLMXJOB-UHFFFAOYSA-N
XLogP5.47
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(1-methylbenzo[f]quinolin-3-yl)phenol?
The IUPAC name of 2-ethoxy-4-(1-methylbenzo[f]quinolin-3-yl)phenol (CID 769193) is 2-ethoxy-4-(1-methylbenzo[f]quinolin-3-yl)phenol.
What is the SMILES notation for 2-ethoxy-4-(1-methylbenzo[f]quinolin-3-yl)phenol?
The canonical SMILES for 2-ethoxy-4-(1-methylbenzo[f]quinolin-3-yl)phenol is CCOc1cc(-c2cc(C)c3c(ccc4ccccc43)n2)ccc1O.
What is the InChIKey of 2-ethoxy-4-(1-methylbenzo[f]quinolin-3-yl)phenol?
The InChIKey is FWFSKMCBLMXJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-3-25-21-13-16(9-11-20(21)24)19-12-14(2)22-17-7-5-4-6-15(17)8-10-18(22)23-19/h4-13,24H,3H2,1-2H3.
What are the key properties of 2-ethoxy-4-(1-methylbenzo[f]quinolin-3-yl)phenol?
2-ethoxy-4-(1-methylbenzo[f]quinolin-3-yl)phenol has a molecular weight of 329.40 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(1-methylbenzo[f]quinolin-3-yl)phenol is sourced from PubChem (CID 769193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).