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

C16H14F2O — CID 55050055

IUPAC2-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-1-ol
SMILESOC1c2ccccc2CC1Cc1ccc(F)cc1F
InChIInChI=1S/C16H14F2O/c17-13-6-5-11(15(18)9-13)8-12-7-10-3-1-2-4-14(10)16(12)19/h1-6,9,12,16,19H,7-8H2
InChIKeyPMCGHEBTGVSMCE-UHFFFAOYSA-N
MW260.28 g/mol
LogP3.41
Rot. Bonds2

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

2-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-1-ol (PubChem CID 55050055) has the molecular formula C16H14F2O and a molecular weight of 260.28 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-1-ol
PubChem CID55050055
Molecular FormulaC16H14F2O
Molecular Weight260.28 g/mol
Exact Mass260.10
IUPAC Name2-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-1-ol
SMILESOC1c2ccccc2CC1Cc1ccc(F)cc1F
InChIInChI=1S/C16H14F2O/c17-13-6-5-11(15(18)9-13)8-12-7-10-3-1-2-4-14(10)16(12)19/h1-6,9,12,16,19H,7-8H2
InChIKeyPMCGHEBTGVSMCE-UHFFFAOYSA-N
XLogP3.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-1-ol (CID 55050055) is 2-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-1-ol is OC1c2ccccc2CC1Cc1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is PMCGHEBTGVSMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O/c17-13-6-5-11(15(18)9-13)8-12-7-10-3-1-2-4-14(10)16(12)19/h1-6,9,12,16,19H,7-8H2.
What are the key properties of 2-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-1-ol?
2-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 260.28 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 55050055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).