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

C9H9ClO2 — CID 75480545

IUPAC(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol
SMILESOCc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C9H9ClO2/c10-8-3-6-1-2-12-9(6)7(4-8)5-11/h3-4,11H,1-2,5H2
InChIKeyROOKXKYVLQHALV-UHFFFAOYSA-N
MW184.62 g/mol
LogP1.77
Rot. Bonds1

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

(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol (PubChem CID 75480545) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol.

Molecular Properties

Compound Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol
PubChem CID75480545
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol
SMILESOCc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C9H9ClO2/c10-8-3-6-1-2-12-9(6)7(4-8)5-11/h3-4,11H,1-2,5H2
InChIKeyROOKXKYVLQHALV-UHFFFAOYSA-N
XLogP1.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol?
The IUPAC name of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol (CID 75480545) is (5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol.
What is the SMILES notation for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol?
The canonical SMILES for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol is OCc1cc(Cl)cc2c1OCC2.
What is the InChIKey of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol?
The InChIKey is ROOKXKYVLQHALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2/c10-8-3-6-1-2-12-9(6)7(4-8)5-11/h3-4,11H,1-2,5H2.
What are the key properties of (5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol?
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol has a molecular weight of 184.62 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol is sourced from PubChem (CID 75480545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).