3-[5-[4-[(4-fluorophenyl)methoxy]phenyl]pentyl]oxolan-2-one

C22H25FO3 — CID 139937376

IUPAC3-[5-[4-[(4-fluorophenyl)methoxy]phenyl]pentyl]oxolan-2-one
SMILESO=C1OCCC1CCCCCc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H25FO3/c23-20-10-6-18(7-11-20)16-26-21-12-8-17(9-13-21)4-2-1-3-5-19-14-15-25-22(19)24/h6-13,19H,1-5,14-16H2
InChIKeyPHGZJNZJVGPBOS-UHFFFAOYSA-N
MW356.44 g/mol
LogP5.07
Rot. Bonds9

About 3-[5-[4-[(4-fluorophenyl)methoxy]phenyl]pentyl]oxolan-2-one

3-[5-[4-[(4-fluorophenyl)methoxy]phenyl]pentyl]oxolan-2-one (PubChem CID 139937376) has the molecular formula C22H25FO3 and a molecular weight of 356.44 g/mol. Its IUPAC name is 3-[5-[4-[(4-fluorophenyl)methoxy]phenyl]pentyl]oxolan-2-one.

Molecular Properties

Compound Name3-[5-[4-[(4-fluorophenyl)methoxy]phenyl]pentyl]oxolan-2-one
PubChem CID139937376
Molecular FormulaC22H25FO3
Molecular Weight356.44 g/mol
Exact Mass356.18
IUPAC Name3-[5-[4-[(4-fluorophenyl)methoxy]phenyl]pentyl]oxolan-2-one
SMILESO=C1OCCC1CCCCCc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H25FO3/c23-20-10-6-18(7-11-20)16-26-21-12-8-17(9-13-21)4-2-1-3-5-19-14-15-25-22(19)24/h6-13,19H,1-5,14-16H2
InChIKeyPHGZJNZJVGPBOS-UHFFFAOYSA-N
XLogP5.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.44
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[7-(4-heptylphenyl)heptyl]oxan-2-one
CID 21248001
3-[6-(4-ethylphenyl)hexyl]oxan-2-one
CID 21248096
3-(3-phenylmethoxypropyl)oxolan-2-one
CID 177135266
methyl 7-[4-[(4-fluorophenyl)methoxy]phenyl]-2-methoxyheptanoate
CID 139937384
2-chloro-7-[4-[(4-fluorophenyl)methoxy]phenyl]heptanoic acid
CID 139937334
5-[4-[(4-fluorophenyl)methoxy]phenyl]oxolan-2-one
CID 25178576
[(3R)-2-oxooxolan-3-yl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 7439958
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
diethyl 2-[5-[4-[(4-fluorophenyl)methoxy]phenyl]pentyl]propanedioate
CID 139937367
3-[3-(4-phenylmethoxyphenyl)propoxy]oxane
CID 57004951
methyl 7-[4-[(4-fluorophenyl)methoxy]phenyl]-2-hydroxyiminoheptanoate
CID 139937310
3-[4-[(4-fluorophenyl)methoxy]phenyl]propanamide
CID 91686884

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-[(4-fluorophenyl)methoxy]phenyl]pentyl]oxolan-2-one?
The IUPAC name of 3-[5-[4-[(4-fluorophenyl)methoxy]phenyl]pentyl]oxolan-2-one (CID 139937376) is 3-[5-[4-[(4-fluorophenyl)methoxy]phenyl]pentyl]oxolan-2-one.
What is the SMILES notation for 3-[5-[4-[(4-fluorophenyl)methoxy]phenyl]pentyl]oxolan-2-one?
The canonical SMILES for 3-[5-[4-[(4-fluorophenyl)methoxy]phenyl]pentyl]oxolan-2-one is O=C1OCCC1CCCCCc1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of 3-[5-[4-[(4-fluorophenyl)methoxy]phenyl]pentyl]oxolan-2-one?
The InChIKey is PHGZJNZJVGPBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FO3/c23-20-10-6-18(7-11-20)16-26-21-12-8-17(9-13-21)4-2-1-3-5-19-14-15-25-22(19)24/h6-13,19H,1-5,14-16H2.
What are the key properties of 3-[5-[4-[(4-fluorophenyl)methoxy]phenyl]pentyl]oxolan-2-one?
3-[5-[4-[(4-fluorophenyl)methoxy]phenyl]pentyl]oxolan-2-one has a molecular weight of 356.44 g/mol, XLogP of 5.07, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-[(4-fluorophenyl)methoxy]phenyl]pentyl]oxolan-2-one is sourced from PubChem (CID 139937376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).