2-(3-fluorophenyl)-4,6-dimethyl-1,3-dihydroinden-2-ol

C17H17FO — CID 101068942

IUPAC2-(3-fluorophenyl)-4,6-dimethyl-1,3-dihydroinden-2-ol
SMILESCc1cc(C)c2c(c1)CC(O)(c1cccc(F)c1)C2
InChIInChI=1S/C17H17FO/c1-11-6-12(2)16-10-17(19,9-13(16)7-11)14-4-3-5-15(18)8-14/h3-8,19H,9-10H2,1-2H3
InChIKeyUEVZBHMDFCMZNO-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.43
Rot. Bonds1

About 2-(3-fluorophenyl)-4,6-dimethyl-1,3-dihydroinden-2-ol

2-(3-fluorophenyl)-4,6-dimethyl-1,3-dihydroinden-2-ol (PubChem CID 101068942) has the molecular formula C17H17FO and a molecular weight of 256.32 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4,6-dimethyl-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4,6-dimethyl-1,3-dihydroinden-2-ol
PubChem CID101068942
Molecular FormulaC17H17FO
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name2-(3-fluorophenyl)-4,6-dimethyl-1,3-dihydroinden-2-ol
SMILESCc1cc(C)c2c(c1)CC(O)(c1cccc(F)c1)C2
InChIInChI=1S/C17H17FO/c1-11-6-12(2)16-10-17(19,9-13(16)7-11)14-4-3-5-15(18)8-14/h3-8,19H,9-10H2,1-2H3
InChIKeyUEVZBHMDFCMZNO-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4,6-dimethyl-1,3-dihydroinden-2-ol?
The IUPAC name of 2-(3-fluorophenyl)-4,6-dimethyl-1,3-dihydroinden-2-ol (CID 101068942) is 2-(3-fluorophenyl)-4,6-dimethyl-1,3-dihydroinden-2-ol.
What is the SMILES notation for 2-(3-fluorophenyl)-4,6-dimethyl-1,3-dihydroinden-2-ol?
The canonical SMILES for 2-(3-fluorophenyl)-4,6-dimethyl-1,3-dihydroinden-2-ol is Cc1cc(C)c2c(c1)CC(O)(c1cccc(F)c1)C2.
What is the InChIKey of 2-(3-fluorophenyl)-4,6-dimethyl-1,3-dihydroinden-2-ol?
The InChIKey is UEVZBHMDFCMZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO/c1-11-6-12(2)16-10-17(19,9-13(16)7-11)14-4-3-5-15(18)8-14/h3-8,19H,9-10H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-4,6-dimethyl-1,3-dihydroinden-2-ol?
2-(3-fluorophenyl)-4,6-dimethyl-1,3-dihydroinden-2-ol has a molecular weight of 256.32 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4,6-dimethyl-1,3-dihydroinden-2-ol is sourced from PubChem (CID 101068942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).