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

C9H9FO2 — CID 22012245

IUPAC(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol
SMILESOCC1COc2ccc(F)cc21
InChIInChI=1S/C9H9FO2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,6,11H,4-5H2
InChIKeyCIWZXJOBXQEOJK-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.29
Rot. Bonds1

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

(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol (PubChem CID 22012245) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol.

Molecular Properties

Compound Name(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol
PubChem CID22012245
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol
SMILESOCC1COc2ccc(F)cc21
InChIInChI=1S/C9H9FO2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,6,11H,4-5H2
InChIKeyCIWZXJOBXQEOJK-UHFFFAOYSA-N
XLogP1.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol?
The IUPAC name of (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol (CID 22012245) is (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol.
What is the SMILES notation for (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol?
The canonical SMILES for (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol is OCC1COc2ccc(F)cc21.
What is the InChIKey of (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol?
The InChIKey is CIWZXJOBXQEOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,6,11H,4-5H2.
What are the key properties of (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol?
(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol has a molecular weight of 168.17 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol is sourced from PubChem (CID 22012245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).