5-(4-fluorophenoxy)-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde

C16H13FO4 — CID 10108143

IUPAC5-(4-fluorophenoxy)-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde
SMILESO=Cc1cc(Oc2ccc(F)cc2)ccc1OC[C@H]1CO1
InChIInChI=1S/C16H13FO4/c17-12-1-3-13(4-2-12)21-14-5-6-16(11(7-14)8-18)20-10-15-9-19-15/h1-8,15H,9-10H2/t15-/m1/s1
InChIKeyXXPJOLPQQMDTTA-OAHLLOKOSA-N
MW288.27 g/mol
LogP3.21
Rot. Bonds6

About 5-(4-fluorophenoxy)-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde

5-(4-fluorophenoxy)-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde (PubChem CID 10108143) has the molecular formula C16H13FO4 and a molecular weight of 288.27 g/mol. Its IUPAC name is 5-(4-fluorophenoxy)-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name5-(4-fluorophenoxy)-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde
PubChem CID10108143
Molecular FormulaC16H13FO4
Molecular Weight288.27 g/mol
Exact Mass288.08
IUPAC Name5-(4-fluorophenoxy)-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde
SMILESO=Cc1cc(Oc2ccc(F)cc2)ccc1OC[C@H]1CO1
InChIInChI=1S/C16H13FO4/c17-12-1-3-13(4-2-12)21-14-5-6-16(11(7-14)8-18)20-10-15-9-19-15/h1-8,15H,9-10H2/t15-/m1/s1
InChIKeyXXPJOLPQQMDTTA-OAHLLOKOSA-N
XLogP3.21
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde
CID 10703784
3,4-bis(oxiran-2-ylmethoxy)benzaldehyde
CID 175734853
4-chloro-2-(oxiran-2-ylmethoxy)benzaldehyde
CID 175222073
2-methyl-3-(oxiran-2-ylmethoxy)benzaldehyde
CID 91239700
4-(oxiran-2-ylmethoxy)naphthalene-1-carbaldehyde
CID 22999320
4-nitro-2-(oxiran-2-ylmethoxy)benzaldehyde
CID 22135516
4-(4-fluorophenoxy)-2-methoxybenzaldehyde
CID 174997678
2-[[4-[4-[3-[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]phenoxy]phenyl]phenoxy]methyl]oxirane
CID 87453140
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
[2-[[(2R)-oxiran-2-yl]methoxy]phenyl] formate
CID 165349007
(2S)-2-[[2-[2,3,5,6-tetrafluoro-4-[2-[[(2R)-oxiran-2-yl]methoxy]phenoxy]phenoxy]phenoxy]methyl]oxirane
CID 2308866
(2S)-2-[(4-bromo-2-fluorophenoxy)methyl]oxirane
CID 87657990

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenoxy)-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde?
The IUPAC name of 5-(4-fluorophenoxy)-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde (CID 10108143) is 5-(4-fluorophenoxy)-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde.
What is the SMILES notation for 5-(4-fluorophenoxy)-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde?
The canonical SMILES for 5-(4-fluorophenoxy)-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde is O=Cc1cc(Oc2ccc(F)cc2)ccc1OC[C@H]1CO1.
What is the InChIKey of 5-(4-fluorophenoxy)-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde?
The InChIKey is XXPJOLPQQMDTTA-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H13FO4/c17-12-1-3-13(4-2-12)21-14-5-6-16(11(7-14)8-18)20-10-15-9-19-15/h1-8,15H,9-10H2/t15-/m1/s1.
What are the key properties of 5-(4-fluorophenoxy)-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde?
5-(4-fluorophenoxy)-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde has a molecular weight of 288.27 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenoxy)-2-[[(2R)-oxiran-2-yl]methoxy]benzaldehyde is sourced from PubChem (CID 10108143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).