5-(2,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol

C16H14F2O — CID 169410301

IUPAC5-(2,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CCCc2c(-c3ccc(F)cc3F)cccc21
InChIInChI=1S/C16H14F2O/c17-10-7-8-13(15(18)9-10)11-3-1-5-14-12(11)4-2-6-16(14)19/h1,3,5,7-9,16,19H,2,4,6H2
InChIKeyRZYHTMOIJSSZHN-UHFFFAOYSA-N
MW260.28 g/mol
LogP4.00
Rot. Bonds1

About 5-(2,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol

5-(2,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 169410301) has the molecular formula C16H14F2O and a molecular weight of 260.28 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID169410301
Molecular FormulaC16H14F2O
Molecular Weight260.28 g/mol
Exact Mass260.10
IUPAC Name5-(2,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CCCc2c(-c3ccc(F)cc3F)cccc21
InChIInChI=1S/C16H14F2O/c17-10-7-8-13(15(18)9-10)11-3-1-5-14-12(11)4-2-6-16(14)19/h1,3,5,7-9,16,19H,2,4,6H2
InChIKeyRZYHTMOIJSSZHN-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-(2,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 169410301) is 5-(2,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-(2,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-(2,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol is OC1CCCc2c(-c3ccc(F)cc3F)cccc21.
What is the InChIKey of 5-(2,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is RZYHTMOIJSSZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O/c17-10-7-8-13(15(18)9-10)11-3-1-5-14-12(11)4-2-6-16(14)19/h1,3,5,7-9,16,19H,2,4,6H2.
What are the key properties of 5-(2,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
5-(2,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 260.28 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 169410301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).