2-(5-chloro-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol

C17H13ClO2 — CID 114722942

IUPAC2-(5-chloro-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol
SMILESOC1(c2cc3cc(Cl)ccc3o2)Cc2ccccc2C1
InChIInChI=1S/C17H13ClO2/c18-14-5-6-15-13(7-14)8-16(20-15)17(19)9-11-3-1-2-4-12(11)10-17/h1-8,19H,9-10H2
InChIKeyKCDXQRXODJGDLN-UHFFFAOYSA-N
MW284.74 g/mol
LogP4.07
Rot. Bonds1

About 2-(5-chloro-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol

2-(5-chloro-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol (PubChem CID 114722942) has the molecular formula C17H13ClO2 and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-(5-chloro-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name2-(5-chloro-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol
PubChem CID114722942
Molecular FormulaC17H13ClO2
Molecular Weight284.74 g/mol
Exact Mass284.06
IUPAC Name2-(5-chloro-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol
SMILESOC1(c2cc3cc(Cl)ccc3o2)Cc2ccccc2C1
InChIInChI=1S/C17H13ClO2/c18-14-5-6-15-13(7-14)8-16(20-15)17(19)9-11-3-1-2-4-12(11)10-17/h1-8,19H,9-10H2
InChIKeyKCDXQRXODJGDLN-UHFFFAOYSA-N
XLogP4.07
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol?
The IUPAC name of 2-(5-chloro-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol (CID 114722942) is 2-(5-chloro-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol.
What is the SMILES notation for 2-(5-chloro-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol?
The canonical SMILES for 2-(5-chloro-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol is OC1(c2cc3cc(Cl)ccc3o2)Cc2ccccc2C1.
What is the InChIKey of 2-(5-chloro-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol?
The InChIKey is KCDXQRXODJGDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO2/c18-14-5-6-15-13(7-14)8-16(20-15)17(19)9-11-3-1-2-4-12(11)10-17/h1-8,19H,9-10H2.
What are the key properties of 2-(5-chloro-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol?
2-(5-chloro-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol has a molecular weight of 284.74 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol is sourced from PubChem (CID 114722942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).