2-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol

C17H16BrFO2 — CID 65409973

IUPAC2-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
SMILESOC(Cc1ccc(F)cc1Br)C1CCOc2ccccc21
InChIInChI=1S/C17H16BrFO2/c18-15-10-12(19)6-5-11(15)9-16(20)13-7-8-21-17-4-2-1-3-14(13)17/h1-6,10,13,16,20H,7-9H2
InChIKeyCASVNJNLQNILDD-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.06
Rot. Bonds3

About 2-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol

2-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol (PubChem CID 65409973) has the molecular formula C17H16BrFO2 and a molecular weight of 351.22 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
PubChem CID65409973
Molecular FormulaC17H16BrFO2
Molecular Weight351.22 g/mol
Exact Mass350.03
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
SMILESOC(Cc1ccc(F)cc1Br)C1CCOc2ccccc21
InChIInChI=1S/C17H16BrFO2/c18-15-10-12(19)6-5-11(15)9-16(20)13-7-8-21-17-4-2-1-3-14(13)17/h1-6,10,13,16,20H,7-9H2
InChIKeyCASVNJNLQNILDD-UHFFFAOYSA-N
XLogP4.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-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 2-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol (CID 65409973) is 2-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol is OC(Cc1ccc(F)cc1Br)C1CCOc2ccccc21.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol?
The InChIKey is CASVNJNLQNILDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO2/c18-15-10-12(19)6-5-11(15)9-16(20)13-7-8-21-17-4-2-1-3-14(13)17/h1-6,10,13,16,20H,7-9H2.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol?
2-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol has a molecular weight of 351.22 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol is sourced from PubChem (CID 65409973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).