4-tert-butyl-5-cyclopropyl-6-fluoronaphthalen-2-ol

C17H19FO — CID 170107153

IUPAC4-tert-butyl-5-cyclopropyl-6-fluoronaphthalen-2-ol
SMILESCC(C)(C)c1cc(O)cc2ccc(F)c(C3CC3)c12
InChIInChI=1S/C17H19FO/c1-17(2,3)13-9-12(19)8-11-6-7-14(18)16(15(11)13)10-4-5-10/h6-10,19H,4-5H2,1-3H3
InChIKeyKEROSXXLWFCPMK-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.86
Rot. Bonds1

About 4-tert-butyl-5-cyclopropyl-6-fluoronaphthalen-2-ol

4-tert-butyl-5-cyclopropyl-6-fluoronaphthalen-2-ol (PubChem CID 170107153) has the molecular formula C17H19FO and a molecular weight of 258.34 g/mol. Its IUPAC name is 4-tert-butyl-5-cyclopropyl-6-fluoronaphthalen-2-ol.

Molecular Properties

Compound Name4-tert-butyl-5-cyclopropyl-6-fluoronaphthalen-2-ol
PubChem CID170107153
Molecular FormulaC17H19FO
Molecular Weight258.34 g/mol
Exact Mass258.14
IUPAC Name4-tert-butyl-5-cyclopropyl-6-fluoronaphthalen-2-ol
SMILESCC(C)(C)c1cc(O)cc2ccc(F)c(C3CC3)c12
InChIInChI=1S/C17H19FO/c1-17(2,3)13-9-12(19)8-11-6-7-14(18)16(15(11)13)10-4-5-10/h6-10,19H,4-5H2,1-3H3
InChIKeyKEROSXXLWFCPMK-UHFFFAOYSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-cyclopropyl-6-fluoronaphthalen-2-ol?
The IUPAC name of 4-tert-butyl-5-cyclopropyl-6-fluoronaphthalen-2-ol (CID 170107153) is 4-tert-butyl-5-cyclopropyl-6-fluoronaphthalen-2-ol.
What is the SMILES notation for 4-tert-butyl-5-cyclopropyl-6-fluoronaphthalen-2-ol?
The canonical SMILES for 4-tert-butyl-5-cyclopropyl-6-fluoronaphthalen-2-ol is CC(C)(C)c1cc(O)cc2ccc(F)c(C3CC3)c12.
What is the InChIKey of 4-tert-butyl-5-cyclopropyl-6-fluoronaphthalen-2-ol?
The InChIKey is KEROSXXLWFCPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO/c1-17(2,3)13-9-12(19)8-11-6-7-14(18)16(15(11)13)10-4-5-10/h6-10,19H,4-5H2,1-3H3.
What are the key properties of 4-tert-butyl-5-cyclopropyl-6-fluoronaphthalen-2-ol?
4-tert-butyl-5-cyclopropyl-6-fluoronaphthalen-2-ol has a molecular weight of 258.34 g/mol, XLogP of 4.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-cyclopropyl-6-fluoronaphthalen-2-ol is sourced from PubChem (CID 170107153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).