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

C17H16Cl2O2 — CID 107308167

IUPAC2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol
SMILESOC(Cc1cccc(Cl)c1Cl)C1COc2ccccc2C1
InChIInChI=1S/C17H16Cl2O2/c18-14-6-3-5-12(17(14)19)9-15(20)13-8-11-4-1-2-7-16(11)21-10-13/h1-7,13,15,20H,8-10H2
InChIKeyZUYLMRVNFARATM-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.15
Rot. Bonds3

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

2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol (PubChem CID 107308167) 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-3-yl)ethanol.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol
PubChem CID107308167
Molecular FormulaC17H16Cl2O2
Molecular Weight323.22 g/mol
Exact Mass322.05
IUPAC Name2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol
SMILESOC(Cc1cccc(Cl)c1Cl)C1COc2ccccc2C1
InChIInChI=1S/C17H16Cl2O2/c18-14-6-3-5-12(17(14)19)9-15(20)13-8-11-4-1-2-7-16(11)21-10-13/h1-7,13,15,20H,8-10H2
InChIKeyZUYLMRVNFARATM-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanol
CID 65410770
2-(2-chlorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol
CID 65411952
2-(3,5-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol
CID 105405677
2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 107308166
1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-ethylimidazol-2-yl)ethanol
CID 79752635
2-(2-amino-4-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol
CID 65410962
1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol
CID 79446324
(2,3-dichlorophenyl) (3R)-3,4-dihydro-2H-chromene-3-carboxylate
CID 9245021
1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanamine
CID 65409504
1-(2-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)methanesulfonamide
CID 110751563
2-(2,5-dichlorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol
CID 65411173
2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 107307473

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol (CID 107308167) is 2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol is OC(Cc1cccc(Cl)c1Cl)C1COc2ccccc2C1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol?
The InChIKey is ZUYLMRVNFARATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O2/c18-14-6-3-5-12(17(14)19)9-15(20)13-8-11-4-1-2-7-16(11)21-10-13/h1-7,13,15,20H,8-10H2.
What are the key properties of 2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol?
2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol has a molecular weight of 323.22 g/mol, XLogP of 4.15, 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-3-yl)ethanol is sourced from PubChem (CID 107308167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).