5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol

C16H14F2O2 — CID 107684733

IUPAC5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2cc(OCc3ccc(F)cc3F)ccc21
InChIInChI=1S/C16H14F2O2/c17-12-3-1-11(15(18)8-12)9-20-13-4-5-14-10(7-13)2-6-16(14)19/h1,3-5,7-8,16,19H,2,6,9H2
InChIKeyVGJRGOLHBHZPPH-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.52
Rot. Bonds3

About 5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol

5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol (PubChem CID 107684733) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
PubChem CID107684733
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2cc(OCc3ccc(F)cc3F)ccc21
InChIInChI=1S/C16H14F2O2/c17-12-3-1-11(15(18)8-12)9-20-13-4-5-14-10(7-13)2-6-16(14)19/h1,3-5,7-8,16,19H,2,6,9H2
InChIKeyVGJRGOLHBHZPPH-UHFFFAOYSA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol (CID 107684733) is 5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol is OC1CCc2cc(OCc3ccc(F)cc3F)ccc21.
What is the InChIKey of 5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is VGJRGOLHBHZPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c17-12-3-1-11(15(18)8-12)9-20-13-4-5-14-10(7-13)2-6-16(14)19/h1,3-5,7-8,16,19H,2,6,9H2.
What are the key properties of 5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol?
5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 276.28 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 107684733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).