1-(3-chloro-9-methyl-10H-acridin-9-yl)ethanol

C16H16ClNO — CID 134869556

IUPAC1-(3-chloro-9-methyl-10H-acridin-9-yl)ethanol
SMILESCC(O)C1(C)c2ccccc2Nc2cc(Cl)ccc21
InChIInChI=1S/C16H16ClNO/c1-10(19)16(2)12-5-3-4-6-14(12)18-15-9-11(17)7-8-13(15)16/h3-10,18-19H,1-2H3
InChIKeyABJGGWGQUAIBIV-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.08
Rot. Bonds1

About 1-(3-chloro-9-methyl-10H-acridin-9-yl)ethanol

1-(3-chloro-9-methyl-10H-acridin-9-yl)ethanol (PubChem CID 134869556) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 1-(3-chloro-9-methyl-10H-acridin-9-yl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-9-methyl-10H-acridin-9-yl)ethanol
PubChem CID134869556
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name1-(3-chloro-9-methyl-10H-acridin-9-yl)ethanol
SMILESCC(O)C1(C)c2ccccc2Nc2cc(Cl)ccc21
InChIInChI=1S/C16H16ClNO/c1-10(19)16(2)12-5-3-4-6-14(12)18-15-9-11(17)7-8-13(15)16/h3-10,18-19H,1-2H3
InChIKeyABJGGWGQUAIBIV-UHFFFAOYSA-N
XLogP4.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-9-methyl-10H-acridin-9-yl)ethanol?
The IUPAC name of 1-(3-chloro-9-methyl-10H-acridin-9-yl)ethanol (CID 134869556) is 1-(3-chloro-9-methyl-10H-acridin-9-yl)ethanol.
What is the SMILES notation for 1-(3-chloro-9-methyl-10H-acridin-9-yl)ethanol?
The canonical SMILES for 1-(3-chloro-9-methyl-10H-acridin-9-yl)ethanol is CC(O)C1(C)c2ccccc2Nc2cc(Cl)ccc21.
What is the InChIKey of 1-(3-chloro-9-methyl-10H-acridin-9-yl)ethanol?
The InChIKey is ABJGGWGQUAIBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-10(19)16(2)12-5-3-4-6-14(12)18-15-9-11(17)7-8-13(15)16/h3-10,18-19H,1-2H3.
What are the key properties of 1-(3-chloro-9-methyl-10H-acridin-9-yl)ethanol?
1-(3-chloro-9-methyl-10H-acridin-9-yl)ethanol has a molecular weight of 273.76 g/mol, XLogP of 4.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-9-methyl-10H-acridin-9-yl)ethanol is sourced from PubChem (CID 134869556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).