2-(2-hydroxyphenyl)-1-prop-2-enyl-3,4-dihydro-2H-quinolin-5-ol

C18H19NO2 — CID 175037520

IUPAC2-(2-hydroxyphenyl)-1-prop-2-enyl-3,4-dihydro-2H-quinolin-5-ol
SMILESC=CCN1c2cccc(O)c2CCC1c1ccccc1O
InChIInChI=1S/C18H19NO2/c1-2-12-19-15-7-5-9-18(21)14(15)10-11-16(19)13-6-3-4-8-17(13)20/h2-9,16,20-21H,1,10-12H2
InChIKeyCMCMCIOZEKQHBT-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.78
Rot. Bonds3

About 2-(2-hydroxyphenyl)-1-prop-2-enyl-3,4-dihydro-2H-quinolin-5-ol

2-(2-hydroxyphenyl)-1-prop-2-enyl-3,4-dihydro-2H-quinolin-5-ol (PubChem CID 175037520) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-1-prop-2-enyl-3,4-dihydro-2H-quinolin-5-ol.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-1-prop-2-enyl-3,4-dihydro-2H-quinolin-5-ol
PubChem CID175037520
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-(2-hydroxyphenyl)-1-prop-2-enyl-3,4-dihydro-2H-quinolin-5-ol
SMILESC=CCN1c2cccc(O)c2CCC1c1ccccc1O
InChIInChI=1S/C18H19NO2/c1-2-12-19-15-7-5-9-18(21)14(15)10-11-16(19)13-6-3-4-8-17(13)20/h2-9,16,20-21H,1,10-12H2
InChIKeyCMCMCIOZEKQHBT-UHFFFAOYSA-N
XLogP3.78
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-1-prop-2-enyl-3,4-dihydro-2H-quinolin-5-ol?
The IUPAC name of 2-(2-hydroxyphenyl)-1-prop-2-enyl-3,4-dihydro-2H-quinolin-5-ol (CID 175037520) is 2-(2-hydroxyphenyl)-1-prop-2-enyl-3,4-dihydro-2H-quinolin-5-ol.
What is the SMILES notation for 2-(2-hydroxyphenyl)-1-prop-2-enyl-3,4-dihydro-2H-quinolin-5-ol?
The canonical SMILES for 2-(2-hydroxyphenyl)-1-prop-2-enyl-3,4-dihydro-2H-quinolin-5-ol is C=CCN1c2cccc(O)c2CCC1c1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)-1-prop-2-enyl-3,4-dihydro-2H-quinolin-5-ol?
The InChIKey is CMCMCIOZEKQHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-12-19-15-7-5-9-18(21)14(15)10-11-16(19)13-6-3-4-8-17(13)20/h2-9,16,20-21H,1,10-12H2.
What are the key properties of 2-(2-hydroxyphenyl)-1-prop-2-enyl-3,4-dihydro-2H-quinolin-5-ol?
2-(2-hydroxyphenyl)-1-prop-2-enyl-3,4-dihydro-2H-quinolin-5-ol has a molecular weight of 281.36 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-1-prop-2-enyl-3,4-dihydro-2H-quinolin-5-ol is sourced from PubChem (CID 175037520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).