4-fluoro-1-(4-propan-2-ylphenyl)-2,3-dihydroinden-1-ol

C18H19FO — CID 83069805

IUPAC4-fluoro-1-(4-propan-2-ylphenyl)-2,3-dihydroinden-1-ol
SMILESCC(C)c1ccc(C2(O)CCc3c(F)cccc32)cc1
InChIInChI=1S/C18H19FO/c1-12(2)13-6-8-14(9-7-13)18(20)11-10-15-16(18)4-3-5-17(15)19/h3-9,12,20H,10-11H2,1-2H3
InChIKeyRRQHMMASJLWMPC-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.13
Rot. Bonds2

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

4-fluoro-1-(4-propan-2-ylphenyl)-2,3-dihydroinden-1-ol (PubChem CID 83069805) has the molecular formula C18H19FO and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-fluoro-1-(4-propan-2-ylphenyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name4-fluoro-1-(4-propan-2-ylphenyl)-2,3-dihydroinden-1-ol
PubChem CID83069805
Molecular FormulaC18H19FO
Molecular Weight270.35 g/mol
Exact Mass270.14
IUPAC Name4-fluoro-1-(4-propan-2-ylphenyl)-2,3-dihydroinden-1-ol
SMILESCC(C)c1ccc(C2(O)CCc3c(F)cccc32)cc1
InChIInChI=1S/C18H19FO/c1-12(2)13-6-8-14(9-7-13)18(20)11-10-15-16(18)4-3-5-17(15)19/h3-9,12,20H,10-11H2,1-2H3
InChIKeyRRQHMMASJLWMPC-UHFFFAOYSA-N
XLogP4.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(4-propan-2-ylphenyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 4-fluoro-1-(4-propan-2-ylphenyl)-2,3-dihydroinden-1-ol (CID 83069805) is 4-fluoro-1-(4-propan-2-ylphenyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 4-fluoro-1-(4-propan-2-ylphenyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 4-fluoro-1-(4-propan-2-ylphenyl)-2,3-dihydroinden-1-ol is CC(C)c1ccc(C2(O)CCc3c(F)cccc32)cc1.
What is the InChIKey of 4-fluoro-1-(4-propan-2-ylphenyl)-2,3-dihydroinden-1-ol?
The InChIKey is RRQHMMASJLWMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO/c1-12(2)13-6-8-14(9-7-13)18(20)11-10-15-16(18)4-3-5-17(15)19/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of 4-fluoro-1-(4-propan-2-ylphenyl)-2,3-dihydroinden-1-ol?
4-fluoro-1-(4-propan-2-ylphenyl)-2,3-dihydroinden-1-ol has a molecular weight of 270.35 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(4-propan-2-ylphenyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 83069805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).