ethane;4-ethyl-3-fluoro-5-methylnaphthalene-1,7-diol

C15H19FO2 — CID 176951343

IUPACethane;4-ethyl-3-fluoro-5-methylnaphthalene-1,7-diol
SMILESCC.CCc1c(F)cc(O)c2cc(O)cc(C)c12
InChIInChI=1S/C13H13FO2.C2H6/c1-3-9-11(14)6-12(16)10-5-8(15)4-7(2)13(9)10;1-2/h4-6,15-16H,3H2,1-2H3;1-2H3
InChIKeyUOPJFNNPBMTTSE-UHFFFAOYSA-N
MW250.31 g/mol
LogP4.29
Rot. Bonds1

About ethane;4-ethyl-3-fluoro-5-methylnaphthalene-1,7-diol

ethane;4-ethyl-3-fluoro-5-methylnaphthalene-1,7-diol (PubChem CID 176951343) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is ethane;4-ethyl-3-fluoro-5-methylnaphthalene-1,7-diol.

Molecular Properties

Compound Nameethane;4-ethyl-3-fluoro-5-methylnaphthalene-1,7-diol
PubChem CID176951343
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Nameethane;4-ethyl-3-fluoro-5-methylnaphthalene-1,7-diol
SMILESCC.CCc1c(F)cc(O)c2cc(O)cc(C)c12
InChIInChI=1S/C13H13FO2.C2H6/c1-3-9-11(14)6-12(16)10-5-8(15)4-7(2)13(9)10;1-2/h4-6,15-16H,3H2,1-2H3;1-2H3
InChIKeyUOPJFNNPBMTTSE-UHFFFAOYSA-N
XLogP4.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2,3,4-triethyl-5-fluorophenol
CID 143347734
5-ethyl-6,8-difluoro-4-methylnaphthalen-2-amine
CID 178101910
2-ethyl-3,5-difluorophenol
CID 131273539
ethane;2-ethyl-1,5-difluoro-3-methylbenzene
CID 142885639
ethane;2-ethyl-1-fluoro-3,5-dimethylbenzene
CID 170736558
4-ethyl-3-methyl-5-propylphenol
CID 174651080
2-ethyl-4-methylbenzene-1,3-diol
CID 66591823
ethane;5-ethyl-6-fluoro-4-methylnaphthalen-2-amine
CID 170624117
2-ethyl-4,6-difluoro-3-methylphenol
CID 134178031
1-ethyl-5-fluoro-2-methylnaphthalene
CID 146553959
4-tert-butyl-5-ethyl-6-fluoronaphthalen-2-ol
CID 169009475
5-ethyl-4-fluoro-2-methylphenol
CID 118092212

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-3-fluoro-5-methylnaphthalene-1,7-diol?
The IUPAC name of ethane;4-ethyl-3-fluoro-5-methylnaphthalene-1,7-diol (CID 176951343) is ethane;4-ethyl-3-fluoro-5-methylnaphthalene-1,7-diol.
What is the SMILES notation for ethane;4-ethyl-3-fluoro-5-methylnaphthalene-1,7-diol?
The canonical SMILES for ethane;4-ethyl-3-fluoro-5-methylnaphthalene-1,7-diol is CC.CCc1c(F)cc(O)c2cc(O)cc(C)c12.
What is the InChIKey of ethane;4-ethyl-3-fluoro-5-methylnaphthalene-1,7-diol?
The InChIKey is UOPJFNNPBMTTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO2.C2H6/c1-3-9-11(14)6-12(16)10-5-8(15)4-7(2)13(9)10;1-2/h4-6,15-16H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;4-ethyl-3-fluoro-5-methylnaphthalene-1,7-diol?
ethane;4-ethyl-3-fluoro-5-methylnaphthalene-1,7-diol has a molecular weight of 250.31 g/mol, XLogP of 4.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-3-fluoro-5-methylnaphthalene-1,7-diol is sourced from PubChem (CID 176951343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).