5-fluoro-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol

C17H16F2O — CID 105373031

IUPAC5-fluoro-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol
SMILESCc1ccc(F)cc1CC1(O)CCc2cc(F)ccc21
InChIInChI=1S/C17H16F2O/c1-11-2-3-14(18)9-13(11)10-17(20)7-6-12-8-15(19)4-5-16(12)17/h2-5,8-9,20H,6-7,10H2,1H3
InChIKeyQZEBOMYNTXYDJV-UHFFFAOYSA-N
MW274.31 g/mol
LogP3.65
Rot. Bonds2

About 5-fluoro-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol

5-fluoro-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol (PubChem CID 105373031) has the molecular formula C17H16F2O and a molecular weight of 274.31 g/mol. Its IUPAC name is 5-fluoro-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-fluoro-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol
PubChem CID105373031
Molecular FormulaC17H16F2O
Molecular Weight274.31 g/mol
Exact Mass274.12
IUPAC Name5-fluoro-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol
SMILESCc1ccc(F)cc1CC1(O)CCc2cc(F)ccc21
InChIInChI=1S/C17H16F2O/c1-11-2-3-14(18)9-13(11)10-17(20)7-6-12-8-15(19)4-5-16(12)17/h2-5,8-9,20H,6-7,10H2,1H3
InChIKeyQZEBOMYNTXYDJV-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 5-fluoro-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol (CID 105373031) is 5-fluoro-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 5-fluoro-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 5-fluoro-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol is Cc1ccc(F)cc1CC1(O)CCc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol?
The InChIKey is QZEBOMYNTXYDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O/c1-11-2-3-14(18)9-13(11)10-17(20)7-6-12-8-15(19)4-5-16(12)17/h2-5,8-9,20H,6-7,10H2,1H3.
What are the key properties of 5-fluoro-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol?
5-fluoro-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol has a molecular weight of 274.31 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(5-fluoro-2-methylphenyl)methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 105373031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).