2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol

C16H14Cl2O2 — CID 107307473

IUPAC2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
SMILESOC(Cc1cccc(Cl)c1Cl)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H14Cl2O2/c17-13-3-1-2-12(16(13)18)9-14(19)10-4-5-15-11(8-10)6-7-20-15/h1-5,8,14,19H,6-7,9H2
InChIKeyAROLWOKNFGFNBJ-UHFFFAOYSA-N
MW309.19 g/mol
LogP4.20
Rot. Bonds3

About 2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol

2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol (PubChem CID 107307473) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
PubChem CID107307473
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
SMILESOC(Cc1cccc(Cl)c1Cl)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H14Cl2O2/c17-13-3-1-2-12(16(13)18)9-14(19)10-4-5-15-11(8-10)6-7-20-15/h1-5,8,14,19H,6-7,9H2
InChIKeyAROLWOKNFGFNBJ-UHFFFAOYSA-N
XLogP4.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-benzodioxol-5-yl)-2-(2,3-dichlorophenyl)ethanol
CID 107307427
2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 62505676
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanol
CID 61100428
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 103047606
5-[chloro-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430264
[2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]hydrazine
CID 105264484
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(furan-2-yl)ethanol
CID 83171228
N-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732600
2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 16673733
1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
CID 61099251
2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 61080781
1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol (CID 107307473) is 2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol is OC(Cc1cccc(Cl)c1Cl)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol?
The InChIKey is AROLWOKNFGFNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c17-13-3-1-2-12(16(13)18)9-14(19)10-4-5-15-11(8-10)6-7-20-15/h1-5,8,14,19H,6-7,9H2.
What are the key properties of 2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol?
2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol has a molecular weight of 309.19 g/mol, XLogP of 4.20, 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-(2,3-dihydro-1-benzofuran-5-yl)ethanol is sourced from PubChem (CID 107307473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).