6-chloro-2,3-dihydro-1-benzofuran-3-ol

C8H7ClO2 — CID 59606807

IUPAC6-chloro-2,3-dihydro-1-benzofuran-3-ol
SMILESOC1COc2cc(Cl)ccc21
InChIInChI=1S/C8H7ClO2/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3,7,10H,4H2
InChIKeyYRIURKJQEFGHJJ-UHFFFAOYSA-N
MW170.59 g/mol
LogP1.77
Rot. Bonds

About 6-chloro-2,3-dihydro-1-benzofuran-3-ol

6-chloro-2,3-dihydro-1-benzofuran-3-ol (PubChem CID 59606807) has the molecular formula C8H7ClO2 and a molecular weight of 170.59 g/mol. Its IUPAC name is 6-chloro-2,3-dihydro-1-benzofuran-3-ol.

Molecular Properties

Compound Name6-chloro-2,3-dihydro-1-benzofuran-3-ol
PubChem CID59606807
Molecular FormulaC8H7ClO2
Molecular Weight170.59 g/mol
Exact Mass170.01
IUPAC Name6-chloro-2,3-dihydro-1-benzofuran-3-ol
SMILESOC1COc2cc(Cl)ccc21
InChIInChI=1S/C8H7ClO2/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3,7,10H,4H2
InChIKeyYRIURKJQEFGHJJ-UHFFFAOYSA-N
XLogP1.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.59
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dihydro-1-benzofuran-3-ol?
The IUPAC name of 6-chloro-2,3-dihydro-1-benzofuran-3-ol (CID 59606807) is 6-chloro-2,3-dihydro-1-benzofuran-3-ol.
What is the SMILES notation for 6-chloro-2,3-dihydro-1-benzofuran-3-ol?
The canonical SMILES for 6-chloro-2,3-dihydro-1-benzofuran-3-ol is OC1COc2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-2,3-dihydro-1-benzofuran-3-ol?
The InChIKey is YRIURKJQEFGHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO2/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3,7,10H,4H2.
What are the key properties of 6-chloro-2,3-dihydro-1-benzofuran-3-ol?
6-chloro-2,3-dihydro-1-benzofuran-3-ol has a molecular weight of 170.59 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dihydro-1-benzofuran-3-ol is sourced from PubChem (CID 59606807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).