1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanol

C16H17FO2 — CID 65157648

IUPAC1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanol
SMILESOC(CC1CCCO1)c1ccc(F)c2ccccc12
InChIInChI=1S/C16H17FO2/c17-15-8-7-14(12-5-1-2-6-13(12)15)16(18)10-11-4-3-9-19-11/h1-2,5-8,11,16,18H,3-4,9-10H2
InChIKeyZUFCHWWPSZGJJZ-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.58
Rot. Bonds3

About 1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanol

1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanol (PubChem CID 65157648) has the molecular formula C16H17FO2 and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanol
PubChem CID65157648
Molecular FormulaC16H17FO2
Molecular Weight260.31 g/mol
Exact Mass260.12
IUPAC Name1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanol
SMILESOC(CC1CCCO1)c1ccc(F)c2ccccc12
InChIInChI=1S/C16H17FO2/c17-15-8-7-14(12-5-1-2-6-13(12)15)16(18)10-11-4-3-9-19-11/h1-2,5-8,11,16,18H,3-4,9-10H2
InChIKeyZUFCHWWPSZGJJZ-UHFFFAOYSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-(oxolan-2-yl)ethanol
CID 65148287
1-(3-fluoro-4-pyridinyl)-2-(oxolan-2-yl)ethanol
CID 104737979
1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 62608272
1-(4-bromonaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol
CID 79597707
1-(2,5-dichlorophenyl)-2-(oxan-2-yl)ethanol
CID 113391319
1-(2,4-difluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160611
4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide
CID 689145
1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanol
CID 66271830
1-(4-chloro-2-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65167483
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 103396051
1-(2,3-dihydrofuran-4-yl)-2-(oxolan-2-yl)ethanol
CID 130580079
1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 60797370

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanol?
The IUPAC name of 1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanol (CID 65157648) is 1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanol.
What is the SMILES notation for 1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanol?
The canonical SMILES for 1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanol is OC(CC1CCCO1)c1ccc(F)c2ccccc12.
What is the InChIKey of 1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanol?
The InChIKey is ZUFCHWWPSZGJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO2/c17-15-8-7-14(12-5-1-2-6-13(12)15)16(18)10-11-4-3-9-19-11/h1-2,5-8,11,16,18H,3-4,9-10H2.
What are the key properties of 1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanol?
1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanol has a molecular weight of 260.31 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoronaphthalen-1-yl)-2-(oxolan-2-yl)ethanol is sourced from PubChem (CID 65157648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).