4-fluoro-3-methyl-2,3-dihydro-1H-inden-1-ol

C10H11FO — CID 63821752

IUPAC4-fluoro-3-methyl-2,3-dihydro-1H-inden-1-ol
SMILESCC1CC(O)c2cccc(F)c21
InChIInChI=1S/C10H11FO/c1-6-5-9(12)7-3-2-4-8(11)10(6)7/h2-4,6,9,12H,5H2,1H3
InChIKeyPSVQSZCCQUELOD-UHFFFAOYSA-N
MW166.20 g/mol
LogP2.37
Rot. Bonds

About 4-fluoro-3-methyl-2,3-dihydro-1H-inden-1-ol

4-fluoro-3-methyl-2,3-dihydro-1H-inden-1-ol (PubChem CID 63821752) has the molecular formula C10H11FO and a molecular weight of 166.20 g/mol. Its IUPAC name is 4-fluoro-3-methyl-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-fluoro-3-methyl-2,3-dihydro-1H-inden-1-ol
PubChem CID63821752
Molecular FormulaC10H11FO
Molecular Weight166.20 g/mol
Exact Mass166.08
IUPAC Name4-fluoro-3-methyl-2,3-dihydro-1H-inden-1-ol
SMILESCC1CC(O)c2cccc(F)c21
InChIInChI=1S/C10H11FO/c1-6-5-9(12)7-3-2-4-8(11)10(6)7/h2-4,6,9,12H,5H2,1H3
InChIKeyPSVQSZCCQUELOD-UHFFFAOYSA-N
XLogP2.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-fluoro-3-methyl-2,3-dihydro-1H-inden-1-ol (CID 63821752) is 4-fluoro-3-methyl-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-fluoro-3-methyl-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-fluoro-3-methyl-2,3-dihydro-1H-inden-1-ol is CC1CC(O)c2cccc(F)c21.
What is the InChIKey of 4-fluoro-3-methyl-2,3-dihydro-1H-inden-1-ol?
The InChIKey is PSVQSZCCQUELOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO/c1-6-5-9(12)7-3-2-4-8(11)10(6)7/h2-4,6,9,12H,5H2,1H3.
What are the key properties of 4-fluoro-3-methyl-2,3-dihydro-1H-inden-1-ol?
4-fluoro-3-methyl-2,3-dihydro-1H-inden-1-ol has a molecular weight of 166.20 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 63821752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).