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

C17H16Cl2O2 — CID 107308166

IUPAC2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
SMILESOC(Cc1cccc(Cl)c1Cl)C1CCOc2ccccc21
InChIInChI=1S/C17H16Cl2O2/c18-14-6-3-4-11(17(14)19)10-15(20)12-8-9-21-16-7-2-1-5-13(12)16/h1-7,12,15,20H,8-10H2
InChIKeyBZTPGNBFCNPACY-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.46
Rot. Bonds3

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

2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol (PubChem CID 107308166) has the molecular formula C17H16Cl2O2 and a molecular weight of 323.22 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
PubChem CID107308166
Molecular FormulaC17H16Cl2O2
Molecular Weight323.22 g/mol
Exact Mass322.05
IUPAC Name2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
SMILESOC(Cc1cccc(Cl)c1Cl)C1CCOc2ccccc21
InChIInChI=1S/C17H16Cl2O2/c18-14-6-3-4-11(17(14)19)10-15(20)12-8-9-21-16-7-2-1-5-13(12)16/h1-7,12,15,20H,8-10H2
InChIKeyBZTPGNBFCNPACY-UHFFFAOYSA-N
XLogP4.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 65409768
1-(3,4-dihydro-2H-chromen-4-yl)but-3-yn-1-ol
CID 65411928
2-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 65409973
2-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 65412417
1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol
CID 65411536
1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluorobutan-1-ol
CID 65410168
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol
CID 79446143
2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol
CID 107308167
1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-methylpyrazol-4-yl)ethanol
CID 65411728
1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-1-ol
CID 65410166
2-(3,4-dihydro-2H-chromen-4-yl)propan-1-ol
CID 130128093
2-(2-chlorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63247324

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol (CID 107308166) is 2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol is OC(Cc1cccc(Cl)c1Cl)C1CCOc2ccccc21.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol?
The InChIKey is BZTPGNBFCNPACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O2/c18-14-6-3-4-11(17(14)19)10-15(20)12-8-9-21-16-7-2-1-5-13(12)16/h1-7,12,15,20H,8-10H2.
What are the key properties of 2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol?
2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol has a molecular weight of 323.22 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol is sourced from PubChem (CID 107308166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).