1-(3,6-dichloro-9,10-dihydroanthracen-9-yl)ethanol

C16H14Cl2O — CID 90078942

IUPAC1-(3,6-dichloro-9,10-dihydroanthracen-9-yl)ethanol
SMILESCC(O)C1c2ccc(Cl)cc2Cc2cc(Cl)ccc21
InChIInChI=1S/C16H14Cl2O/c1-9(19)16-14-4-2-12(17)7-10(14)6-11-8-13(18)3-5-15(11)16/h2-5,7-9,16,19H,6H2,1H3
InChIKeyAGXNMYXYEAPILW-UHFFFAOYSA-N
MW293.19 g/mol
LogP4.41
Rot. Bonds1

About 1-(3,6-dichloro-9,10-dihydroanthracen-9-yl)ethanol

1-(3,6-dichloro-9,10-dihydroanthracen-9-yl)ethanol (PubChem CID 90078942) has the molecular formula C16H14Cl2O and a molecular weight of 293.19 g/mol. Its IUPAC name is 1-(3,6-dichloro-9,10-dihydroanthracen-9-yl)ethanol.

Molecular Properties

Compound Name1-(3,6-dichloro-9,10-dihydroanthracen-9-yl)ethanol
PubChem CID90078942
Molecular FormulaC16H14Cl2O
Molecular Weight293.19 g/mol
Exact Mass292.04
IUPAC Name1-(3,6-dichloro-9,10-dihydroanthracen-9-yl)ethanol
SMILESCC(O)C1c2ccc(Cl)cc2Cc2cc(Cl)ccc21
InChIInChI=1S/C16H14Cl2O/c1-9(19)16-14-4-2-12(17)7-10(14)6-11-8-13(18)3-5-15(11)16/h2-5,7-9,16,19H,6H2,1H3
InChIKeyAGXNMYXYEAPILW-UHFFFAOYSA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dichloro-9,10-dihydroanthracen-9-yl)ethanol?
The IUPAC name of 1-(3,6-dichloro-9,10-dihydroanthracen-9-yl)ethanol (CID 90078942) is 1-(3,6-dichloro-9,10-dihydroanthracen-9-yl)ethanol.
What is the SMILES notation for 1-(3,6-dichloro-9,10-dihydroanthracen-9-yl)ethanol?
The canonical SMILES for 1-(3,6-dichloro-9,10-dihydroanthracen-9-yl)ethanol is CC(O)C1c2ccc(Cl)cc2Cc2cc(Cl)ccc21.
What is the InChIKey of 1-(3,6-dichloro-9,10-dihydroanthracen-9-yl)ethanol?
The InChIKey is AGXNMYXYEAPILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O/c1-9(19)16-14-4-2-12(17)7-10(14)6-11-8-13(18)3-5-15(11)16/h2-5,7-9,16,19H,6H2,1H3.
What are the key properties of 1-(3,6-dichloro-9,10-dihydroanthracen-9-yl)ethanol?
1-(3,6-dichloro-9,10-dihydroanthracen-9-yl)ethanol has a molecular weight of 293.19 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dichloro-9,10-dihydroanthracen-9-yl)ethanol is sourced from PubChem (CID 90078942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).