1-(1,2-dihydroquinolin-6-yl)butan-2-ol;ethane

C15H23NO — CID 143267650

IUPAC1-(1,2-dihydroquinolin-6-yl)butan-2-ol;ethane
SMILESCC.CCC(O)Cc1ccc2c(c1)C=CCN2
InChIInChI=1S/C13H17NO.C2H6/c1-2-12(15)9-10-5-6-13-11(8-10)4-3-7-14-13;1-2/h3-6,8,12,14-15H,2,7,9H2,1H3;1-2H3
InChIKeyCPSZVCGQNCVNBI-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.46
Rot. Bonds3

About 1-(1,2-dihydroquinolin-6-yl)butan-2-ol;ethane

1-(1,2-dihydroquinolin-6-yl)butan-2-ol;ethane (PubChem CID 143267650) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(1,2-dihydroquinolin-6-yl)butan-2-ol;ethane.

Molecular Properties

Compound Name1-(1,2-dihydroquinolin-6-yl)butan-2-ol;ethane
PubChem CID143267650
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(1,2-dihydroquinolin-6-yl)butan-2-ol;ethane
SMILESCC.CCC(O)Cc1ccc2c(c1)C=CCN2
InChIInChI=1S/C13H17NO.C2H6/c1-2-12(15)9-10-5-6-13-11(8-10)4-3-7-14-13;1-2/h3-6,8,12,14-15H,2,7,9H2,1H3;1-2H3
InChIKeyCPSZVCGQNCVNBI-UHFFFAOYSA-N
XLogP3.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroquinolin-6-yl)butan-2-ol;ethane?
The IUPAC name of 1-(1,2-dihydroquinolin-6-yl)butan-2-ol;ethane (CID 143267650) is 1-(1,2-dihydroquinolin-6-yl)butan-2-ol;ethane.
What is the SMILES notation for 1-(1,2-dihydroquinolin-6-yl)butan-2-ol;ethane?
The canonical SMILES for 1-(1,2-dihydroquinolin-6-yl)butan-2-ol;ethane is CC.CCC(O)Cc1ccc2c(c1)C=CCN2.
What is the InChIKey of 1-(1,2-dihydroquinolin-6-yl)butan-2-ol;ethane?
The InChIKey is CPSZVCGQNCVNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C2H6/c1-2-12(15)9-10-5-6-13-11(8-10)4-3-7-14-13;1-2/h3-6,8,12,14-15H,2,7,9H2,1H3;1-2H3.
What are the key properties of 1-(1,2-dihydroquinolin-6-yl)butan-2-ol;ethane?
1-(1,2-dihydroquinolin-6-yl)butan-2-ol;ethane has a molecular weight of 233.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydroquinolin-6-yl)butan-2-ol;ethane is sourced from PubChem (CID 143267650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).