4-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-ol

C18H19FO — CID 83069257

IUPAC4-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-ol
SMILESCc1cc(C)c(C2(O)CCc3c(F)cccc32)cc1C
InChIInChI=1S/C18H19FO/c1-11-9-13(3)16(10-12(11)2)18(20)8-7-14-15(18)5-4-6-17(14)19/h4-6,9-10,20H,7-8H2,1-3H3
InChIKeyCVOUPDCOSFECQB-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.93
Rot. Bonds1

About 4-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-ol

4-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-ol (PubChem CID 83069257) has the molecular formula C18H19FO and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name4-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-ol
PubChem CID83069257
Molecular FormulaC18H19FO
Molecular Weight270.35 g/mol
Exact Mass270.14
IUPAC Name4-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-ol
SMILESCc1cc(C)c(C2(O)CCc3c(F)cccc32)cc1C
InChIInChI=1S/C18H19FO/c1-11-9-13(3)16(10-12(11)2)18(20)8-7-14-15(18)5-4-6-17(14)19/h4-6,9-10,20H,7-8H2,1-3H3
InChIKeyCVOUPDCOSFECQB-UHFFFAOYSA-N
XLogP3.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 4-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-ol (CID 83069257) is 4-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 4-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 4-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-ol is Cc1cc(C)c(C2(O)CCc3c(F)cccc32)cc1C.
What is the InChIKey of 4-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-ol?
The InChIKey is CVOUPDCOSFECQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO/c1-11-9-13(3)16(10-12(11)2)18(20)8-7-14-15(18)5-4-6-17(14)19/h4-6,9-10,20H,7-8H2,1-3H3.
What are the key properties of 4-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-ol?
4-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-ol has a molecular weight of 270.35 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 83069257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).