(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5-chlorofuran-2-yl)methanol

C13H10Cl2O3 — CID 106688939

IUPAC(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5-chlorofuran-2-yl)methanol
SMILESOC(c1ccc(Cl)o1)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C13H10Cl2O3/c14-8-5-7-3-4-17-13(7)9(6-8)12(16)10-1-2-11(15)18-10/h1-2,5-6,12,16H,3-4H2
InChIKeyHDGWQZNMLXRMBV-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.60
Rot. Bonds2

About (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5-chlorofuran-2-yl)methanol

(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5-chlorofuran-2-yl)methanol (PubChem CID 106688939) has the molecular formula C13H10Cl2O3 and a molecular weight of 285.13 g/mol. Its IUPAC name is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5-chlorofuran-2-yl)methanol.

Molecular Properties

Compound Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5-chlorofuran-2-yl)methanol
PubChem CID106688939
Molecular FormulaC13H10Cl2O3
Molecular Weight285.13 g/mol
Exact Mass284.00
IUPAC Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5-chlorofuran-2-yl)methanol
SMILESOC(c1ccc(Cl)o1)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C13H10Cl2O3/c14-8-5-7-3-4-17-13(7)9(6-8)12(16)10-1-2-11(15)18-10/h1-2,5-6,12,16H,3-4H2
InChIKeyHDGWQZNMLXRMBV-UHFFFAOYSA-N
XLogP3.60
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-difluorophenyl)methanol
CID 104543072
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluorophenyl)methanol
CID 104543259
(4-bromo-2-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol
CID 104543168
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoroethanol
CID 104632781
2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-hydroxymethyl]benzoic acid
CID 104546150
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluoro-4-methylphenyl)methanol
CID 104543145
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol
CID 104543182
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 104543117
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-ethylbutan-1-ol
CID 104543070
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3,3,3-trifluoropropan-1-ol
CID 113425155
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3,5-dichlorophenyl)methanol
CID 104543049
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2,3,3-tetrafluoropropan-1-ol
CID 104543146

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5-chlorofuran-2-yl)methanol?
The IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5-chlorofuran-2-yl)methanol (CID 106688939) is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5-chlorofuran-2-yl)methanol.
What is the SMILES notation for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5-chlorofuran-2-yl)methanol?
The canonical SMILES for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5-chlorofuran-2-yl)methanol is OC(c1ccc(Cl)o1)c1cc(Cl)cc2c1OCC2.
What is the InChIKey of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5-chlorofuran-2-yl)methanol?
The InChIKey is HDGWQZNMLXRMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O3/c14-8-5-7-3-4-17-13(7)9(6-8)12(16)10-1-2-11(15)18-10/h1-2,5-6,12,16H,3-4H2.
What are the key properties of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5-chlorofuran-2-yl)methanol?
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5-chlorofuran-2-yl)methanol has a molecular weight of 285.13 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5-chlorofuran-2-yl)methanol is sourced from PubChem (CID 106688939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).