1-(3-chloro-9,10-dihydroanthracen-9-yl)ethanol

C16H15ClO — CID 90078940

IUPAC1-(3-chloro-9,10-dihydroanthracen-9-yl)ethanol
SMILESCC(O)C1c2ccccc2Cc2cc(Cl)ccc21
InChIInChI=1S/C16H15ClO/c1-10(18)16-14-5-3-2-4-11(14)8-12-9-13(17)6-7-15(12)16/h2-7,9-10,16,18H,8H2,1H3
InChIKeyIBIGVJQWYBZGDC-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.76
Rot. Bonds1

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

1-(3-chloro-9,10-dihydroanthracen-9-yl)ethanol (PubChem CID 90078940) has the molecular formula C16H15ClO and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-(3-chloro-9,10-dihydroanthracen-9-yl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-9,10-dihydroanthracen-9-yl)ethanol
PubChem CID90078940
Molecular FormulaC16H15ClO
Molecular Weight258.75 g/mol
Exact Mass258.08
IUPAC Name1-(3-chloro-9,10-dihydroanthracen-9-yl)ethanol
SMILESCC(O)C1c2ccccc2Cc2cc(Cl)ccc21
InChIInChI=1S/C16H15ClO/c1-10(18)16-14-5-3-2-4-11(14)8-12-9-13(17)6-7-15(12)16/h2-7,9-10,16,18H,8H2,1H3
InChIKeyIBIGVJQWYBZGDC-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-chloro-9,10-dihydroanthracen-9-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-9,10-dihydroanthracen-9-yl)ethanol?
The IUPAC name of 1-(3-chloro-9,10-dihydroanthracen-9-yl)ethanol (CID 90078940) is 1-(3-chloro-9,10-dihydroanthracen-9-yl)ethanol.
What is the SMILES notation for 1-(3-chloro-9,10-dihydroanthracen-9-yl)ethanol?
The canonical SMILES for 1-(3-chloro-9,10-dihydroanthracen-9-yl)ethanol is CC(O)C1c2ccccc2Cc2cc(Cl)ccc21.
What is the InChIKey of 1-(3-chloro-9,10-dihydroanthracen-9-yl)ethanol?
The InChIKey is IBIGVJQWYBZGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO/c1-10(18)16-14-5-3-2-4-11(14)8-12-9-13(17)6-7-15(12)16/h2-7,9-10,16,18H,8H2,1H3.
What are the key properties of 1-(3-chloro-9,10-dihydroanthracen-9-yl)ethanol?
1-(3-chloro-9,10-dihydroanthracen-9-yl)ethanol has a molecular weight of 258.75 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-9,10-dihydroanthracen-9-yl)ethanol is sourced from PubChem (CID 90078940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).