4-tert-butyl-7-deuterio-5-ethyl-6-fluoronaphthalen-2-ol

C16H19FO — CID 177267540

IUPAC4-tert-butyl-7-deuterio-5-ethyl-6-fluoronaphthalen-2-ol
SMILES[2H]c1cc2cc(O)cc(C(C)(C)C)c2c(CC)c1F
InChIInChI=1S/C16H19FO/c1-5-12-14(17)7-6-10-8-11(18)9-13(15(10)12)16(2,3)4/h6-9,18H,5H2,1-4H3/i7D
InChIKeyLOPUUYQAHNDBKU-WHRKIXHSSA-N
MW247.33 g/mol
LogP4.54
Rot. Bonds1

About 4-tert-butyl-7-deuterio-5-ethyl-6-fluoronaphthalen-2-ol

4-tert-butyl-7-deuterio-5-ethyl-6-fluoronaphthalen-2-ol (PubChem CID 177267540) has the molecular formula C16H19FO and a molecular weight of 247.33 g/mol. Its IUPAC name is 4-tert-butyl-7-deuterio-5-ethyl-6-fluoronaphthalen-2-ol.

Molecular Properties

Compound Name4-tert-butyl-7-deuterio-5-ethyl-6-fluoronaphthalen-2-ol
PubChem CID177267540
Molecular FormulaC16H19FO
Molecular Weight247.33 g/mol
Exact Mass247.15
IUPAC Name4-tert-butyl-7-deuterio-5-ethyl-6-fluoronaphthalen-2-ol
SMILES[2H]c1cc2cc(O)cc(C(C)(C)C)c2c(CC)c1F
InChIInChI=1S/C16H19FO/c1-5-12-14(17)7-6-10-8-11(18)9-13(15(10)12)16(2,3)4/h6-9,18H,5H2,1-4H3/i7D
InChIKeyLOPUUYQAHNDBKU-WHRKIXHSSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-5-ethyl-6-fluoronaphthalen-2-ol
CID 169009475
3,5-ditert-butyl-4-ethylphenol
CID 54064796
4-tert-butyl-5-cyclopropyl-6-fluoronaphthalen-2-ol
CID 170107153
4-tert-butyl-5-(trifluoromethyl)naphthalen-2-ol
CID 169009511
4-tert-butyl-5-ethynylnaphthalen-2-ol
CID 167468671
4-tert-butyl-5-(1-chloroethenyl)-6-methylnaphthalen-2-ol
CID 172514358
1-ethyl-2-fluoro-8-propan-2-ylnaphthalene;5-methylsulfanyl-4-propan-2-ylnaphthalen-2-ol
CID 164878340
4-(2-deuterio-6,8-difluoroquinazolin-7-yl)-5-ethyl-6-fluoronaphthalen-2-ol
CID 175816309
5-ethyl-6-fluoronaphthalen-2-ol;trihydrochloride
CID 175801280
4-[4-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-7-yl]-5-ethyl-6-fluoronaphthalen-2-ol
CID 167120127
bis(2,6-ditert-butylbenzene-1,4-diol);ethane-1,2-diol
CID 172795780
2-tert-butylbenzene-1,4-diol;ethanol
CID 158505394

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-7-deuterio-5-ethyl-6-fluoronaphthalen-2-ol?
The IUPAC name of 4-tert-butyl-7-deuterio-5-ethyl-6-fluoronaphthalen-2-ol (CID 177267540) is 4-tert-butyl-7-deuterio-5-ethyl-6-fluoronaphthalen-2-ol.
What is the SMILES notation for 4-tert-butyl-7-deuterio-5-ethyl-6-fluoronaphthalen-2-ol?
The canonical SMILES for 4-tert-butyl-7-deuterio-5-ethyl-6-fluoronaphthalen-2-ol is [2H]c1cc2cc(O)cc(C(C)(C)C)c2c(CC)c1F.
What is the InChIKey of 4-tert-butyl-7-deuterio-5-ethyl-6-fluoronaphthalen-2-ol?
The InChIKey is LOPUUYQAHNDBKU-WHRKIXHSSA-N. The full InChI is InChI=1S/C16H19FO/c1-5-12-14(17)7-6-10-8-11(18)9-13(15(10)12)16(2,3)4/h6-9,18H,5H2,1-4H3/i7D.
What are the key properties of 4-tert-butyl-7-deuterio-5-ethyl-6-fluoronaphthalen-2-ol?
4-tert-butyl-7-deuterio-5-ethyl-6-fluoronaphthalen-2-ol has a molecular weight of 247.33 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-7-deuterio-5-ethyl-6-fluoronaphthalen-2-ol is sourced from PubChem (CID 177267540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).