4-fluoro-1-(4-methylcyclohexyl)-2,3-dihydroinden-1-ol

C16H21FO — CID 83069650

IUPAC4-fluoro-1-(4-methylcyclohexyl)-2,3-dihydroinden-1-ol
SMILESCC1CCC(C2(O)CCc3c(F)cccc32)CC1
InChIInChI=1S/C16H21FO/c1-11-5-7-12(8-6-11)16(18)10-9-13-14(16)3-2-4-15(13)17/h2-4,11-12,18H,5-10H2,1H3
InChIKeyDLEOQAXHKRDMCL-UHFFFAOYSA-N
MW248.34 g/mol
LogP3.79
Rot. Bonds1

About 4-fluoro-1-(4-methylcyclohexyl)-2,3-dihydroinden-1-ol

4-fluoro-1-(4-methylcyclohexyl)-2,3-dihydroinden-1-ol (PubChem CID 83069650) has the molecular formula C16H21FO and a molecular weight of 248.34 g/mol. Its IUPAC name is 4-fluoro-1-(4-methylcyclohexyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name4-fluoro-1-(4-methylcyclohexyl)-2,3-dihydroinden-1-ol
PubChem CID83069650
Molecular FormulaC16H21FO
Molecular Weight248.34 g/mol
Exact Mass248.16
IUPAC Name4-fluoro-1-(4-methylcyclohexyl)-2,3-dihydroinden-1-ol
SMILESCC1CCC(C2(O)CCc3c(F)cccc32)CC1
InChIInChI=1S/C16H21FO/c1-11-5-7-12(8-6-11)16(18)10-9-13-14(16)3-2-4-15(13)17/h2-4,11-12,18H,5-10H2,1H3
InChIKeyDLEOQAXHKRDMCL-UHFFFAOYSA-N
XLogP3.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-1-(4-methylcyclohexyl)-2,3-dihydroinden-1-ol 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 4-fluoro-1-(4-methylcyclohexyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 4-fluoro-1-(4-methylcyclohexyl)-2,3-dihydroinden-1-ol (CID 83069650) is 4-fluoro-1-(4-methylcyclohexyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 4-fluoro-1-(4-methylcyclohexyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 4-fluoro-1-(4-methylcyclohexyl)-2,3-dihydroinden-1-ol is CC1CCC(C2(O)CCc3c(F)cccc32)CC1.
What is the InChIKey of 4-fluoro-1-(4-methylcyclohexyl)-2,3-dihydroinden-1-ol?
The InChIKey is DLEOQAXHKRDMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO/c1-11-5-7-12(8-6-11)16(18)10-9-13-14(16)3-2-4-15(13)17/h2-4,11-12,18H,5-10H2,1H3.
What are the key properties of 4-fluoro-1-(4-methylcyclohexyl)-2,3-dihydroinden-1-ol?
4-fluoro-1-(4-methylcyclohexyl)-2,3-dihydroinden-1-ol has a molecular weight of 248.34 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(4-methylcyclohexyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 83069650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).