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

C17H23FO — CID 83069416

IUPAC1-(4-ethylcyclohexyl)-4-fluoro-2,3-dihydroinden-1-ol
SMILESCCC1CCC(C2(O)CCc3c(F)cccc32)CC1
InChIInChI=1S/C17H23FO/c1-2-12-6-8-13(9-7-12)17(19)11-10-14-15(17)4-3-5-16(14)18/h3-5,12-13,19H,2,6-11H2,1H3
InChIKeyXNDVDAHDKSHFID-UHFFFAOYSA-N
MW262.37 g/mol
LogP4.18
Rot. Bonds2

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

1-(4-ethylcyclohexyl)-4-fluoro-2,3-dihydroinden-1-ol (PubChem CID 83069416) has the molecular formula C17H23FO and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-4-fluoro-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-4-fluoro-2,3-dihydroinden-1-ol
PubChem CID83069416
Molecular FormulaC17H23FO
Molecular Weight262.37 g/mol
Exact Mass262.17
IUPAC Name1-(4-ethylcyclohexyl)-4-fluoro-2,3-dihydroinden-1-ol
SMILESCCC1CCC(C2(O)CCc3c(F)cccc32)CC1
InChIInChI=1S/C17H23FO/c1-2-12-6-8-13(9-7-12)17(19)11-10-14-15(17)4-3-5-16(14)18/h3-5,12-13,19H,2,6-11H2,1H3
InChIKeyXNDVDAHDKSHFID-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-4-fluoro-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(4-ethylcyclohexyl)-4-fluoro-2,3-dihydroinden-1-ol (CID 83069416) is 1-(4-ethylcyclohexyl)-4-fluoro-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-4-fluoro-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(4-ethylcyclohexyl)-4-fluoro-2,3-dihydroinden-1-ol is CCC1CCC(C2(O)CCc3c(F)cccc32)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-4-fluoro-2,3-dihydroinden-1-ol?
The InChIKey is XNDVDAHDKSHFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO/c1-2-12-6-8-13(9-7-12)17(19)11-10-14-15(17)4-3-5-16(14)18/h3-5,12-13,19H,2,6-11H2,1H3.
What are the key properties of 1-(4-ethylcyclohexyl)-4-fluoro-2,3-dihydroinden-1-ol?
1-(4-ethylcyclohexyl)-4-fluoro-2,3-dihydroinden-1-ol has a molecular weight of 262.37 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-4-fluoro-2,3-dihydroinden-1-ol is sourced from PubChem (CID 83069416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).