5-[4-[(2-fluorophenyl)methoxy]phenyl]oxolan-2-one

C17H15FO3 — CID 25178378

IUPAC5-[4-[(2-fluorophenyl)methoxy]phenyl]oxolan-2-one
SMILESO=C1CCC(c2ccc(OCc3ccccc3F)cc2)O1
InChIInChI=1S/C17H15FO3/c18-15-4-2-1-3-13(15)11-20-14-7-5-12(6-8-14)16-9-10-17(19)21-16/h1-8,16H,9-11H2
InChIKeyHWZVXPZRSSJTOD-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.78
Rot. Bonds4

About 5-[4-[(2-fluorophenyl)methoxy]phenyl]oxolan-2-one

5-[4-[(2-fluorophenyl)methoxy]phenyl]oxolan-2-one (PubChem CID 25178378) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is 5-[4-[(2-fluorophenyl)methoxy]phenyl]oxolan-2-one.

Molecular Properties

Compound Name5-[4-[(2-fluorophenyl)methoxy]phenyl]oxolan-2-one
PubChem CID25178378
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Name5-[4-[(2-fluorophenyl)methoxy]phenyl]oxolan-2-one
SMILESO=C1CCC(c2ccc(OCc3ccccc3F)cc2)O1
InChIInChI=1S/C17H15FO3/c18-15-4-2-1-3-13(15)11-20-14-7-5-12(6-8-14)16-9-10-17(19)21-16/h1-8,16H,9-11H2
InChIKeyHWZVXPZRSSJTOD-UHFFFAOYSA-N
XLogP3.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-[(2-bromophenyl)methoxy]phenyl]oxolan-2-one
CID 25180882
5-[4-[(4-fluorophenyl)methoxy]phenyl]oxolan-2-one
CID 25178576
(5S)-5-(4-methoxyphenyl)oxolan-2-one
CID 12862881
2-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 20993194
(2S)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidin-1-ium-2-carboxamide
CID 164788192
cis-(1R,3S)-3-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentane-1-carboxamide
CID 161335491
(5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide
CID 134692551
(5R,7R)-7-[4-[(2-fluorophenyl)methoxy]phenyl]-2,6-diazaspiro[4.5]decan-1-one;hydrochloride
CID 66700633
3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]azepan-2-one
CID 11267874
(4R)-2-amino-4-[4-[(2-fluorophenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 1317041
(4S)-2-amino-4-[4-[(2-fluorophenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 1317040
2-[[(1S,2S)-2-[4-[(2-fluorophenyl)methoxy]phenyl]cyclopentyl]amino]acetamide
CID 90489760

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-fluorophenyl)methoxy]phenyl]oxolan-2-one?
The IUPAC name of 5-[4-[(2-fluorophenyl)methoxy]phenyl]oxolan-2-one (CID 25178378) is 5-[4-[(2-fluorophenyl)methoxy]phenyl]oxolan-2-one.
What is the SMILES notation for 5-[4-[(2-fluorophenyl)methoxy]phenyl]oxolan-2-one?
The canonical SMILES for 5-[4-[(2-fluorophenyl)methoxy]phenyl]oxolan-2-one is O=C1CCC(c2ccc(OCc3ccccc3F)cc2)O1.
What is the InChIKey of 5-[4-[(2-fluorophenyl)methoxy]phenyl]oxolan-2-one?
The InChIKey is HWZVXPZRSSJTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO3/c18-15-4-2-1-3-13(15)11-20-14-7-5-12(6-8-14)16-9-10-17(19)21-16/h1-8,16H,9-11H2.
What are the key properties of 5-[4-[(2-fluorophenyl)methoxy]phenyl]oxolan-2-one?
5-[4-[(2-fluorophenyl)methoxy]phenyl]oxolan-2-one has a molecular weight of 286.30 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-fluorophenyl)methoxy]phenyl]oxolan-2-one is sourced from PubChem (CID 25178378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).