4-fluoro-7-methyl-2,3-dihydro-1-benzofuran-3-ol

C9H9FO2 — CID 102990724

IUPAC4-fluoro-7-methyl-2,3-dihydro-1-benzofuran-3-ol
SMILESCc1ccc(F)c2c1OCC2O
InChIInChI=1S/C9H9FO2/c1-5-2-3-6(10)8-7(11)4-12-9(5)8/h2-3,7,11H,4H2,1H3
InChIKeyDDLSBAFKUDBFSN-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.56
Rot. Bonds

About 4-fluoro-7-methyl-2,3-dihydro-1-benzofuran-3-ol

4-fluoro-7-methyl-2,3-dihydro-1-benzofuran-3-ol (PubChem CID 102990724) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is 4-fluoro-7-methyl-2,3-dihydro-1-benzofuran-3-ol.

Molecular Properties

Compound Name4-fluoro-7-methyl-2,3-dihydro-1-benzofuran-3-ol
PubChem CID102990724
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name4-fluoro-7-methyl-2,3-dihydro-1-benzofuran-3-ol
SMILESCc1ccc(F)c2c1OCC2O
InChIInChI=1S/C9H9FO2/c1-5-2-3-6(10)8-7(11)4-12-9(5)8/h2-3,7,11H,4H2,1H3
InChIKeyDDLSBAFKUDBFSN-UHFFFAOYSA-N
XLogP1.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-7-methyl-2,3-dihydro-1-benzofuran-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-ol
CID 102990727
(4R)-5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 55275271
(5R)-6-fluoro-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 102990333
(4R)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 130501634
N-ethyl-6-fluoro-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 102990299
5-fluoro-8-methyl-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 130061481
(4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-ol
CID 107287207
(4S)-8-fluoro-5-methyl-3,4-dihydro-2H-chromen-4-amine
CID 78961066
8-fluoro-5-methyl-1,2,3,4-tetrahydroquinolin-4-ol
CID 131213972
5-fluoro-8-methyl-2,3-dihydrochromen-4-one
CID 55273706
5-fluoro-3-hydroxy-2,3-dihydro-1-benzofuran-4-carbonitrile
CID 121412588
(5S)-9-fluoro-6-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 79014270

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methyl-2,3-dihydro-1-benzofuran-3-ol?
The IUPAC name of 4-fluoro-7-methyl-2,3-dihydro-1-benzofuran-3-ol (CID 102990724) is 4-fluoro-7-methyl-2,3-dihydro-1-benzofuran-3-ol.
What is the SMILES notation for 4-fluoro-7-methyl-2,3-dihydro-1-benzofuran-3-ol?
The canonical SMILES for 4-fluoro-7-methyl-2,3-dihydro-1-benzofuran-3-ol is Cc1ccc(F)c2c1OCC2O.
What is the InChIKey of 4-fluoro-7-methyl-2,3-dihydro-1-benzofuran-3-ol?
The InChIKey is DDLSBAFKUDBFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c1-5-2-3-6(10)8-7(11)4-12-9(5)8/h2-3,7,11H,4H2,1H3.
What are the key properties of 4-fluoro-7-methyl-2,3-dihydro-1-benzofuran-3-ol?
4-fluoro-7-methyl-2,3-dihydro-1-benzofuran-3-ol has a molecular weight of 168.17 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methyl-2,3-dihydro-1-benzofuran-3-ol is sourced from PubChem (CID 102990724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).