3-fluoro-4-(oxolan-2-ylmethoxy)benzaldehyde

C12H13FO3 — CID 43826140

IUPAC3-fluoro-4-(oxolan-2-ylmethoxy)benzaldehyde
SMILESO=Cc1ccc(OCC2CCCO2)c(F)c1
InChIInChI=1S/C12H13FO3/c13-11-6-9(7-14)3-4-12(11)16-8-10-2-1-5-15-10/h3-4,6-7,10H,1-2,5,8H2
InChIKeyQOEHWXXRDNTECW-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.20
Rot. Bonds4

About 3-fluoro-4-(oxolan-2-ylmethoxy)benzaldehyde

3-fluoro-4-(oxolan-2-ylmethoxy)benzaldehyde (PubChem CID 43826140) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 3-fluoro-4-(oxolan-2-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-(oxolan-2-ylmethoxy)benzaldehyde
PubChem CID43826140
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name3-fluoro-4-(oxolan-2-ylmethoxy)benzaldehyde
SMILESO=Cc1ccc(OCC2CCCO2)c(F)c1
InChIInChI=1S/C12H13FO3/c13-11-6-9(7-14)3-4-12(11)16-8-10-2-1-5-15-10/h3-4,6-7,10H,1-2,5,8H2
InChIKeyQOEHWXXRDNTECW-UHFFFAOYSA-N
XLogP2.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopropylmethoxy)-3-fluorobenzaldehyde
CID 20794858
3-fluoro-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzaldehyde
CID 107689602
1-[3-fluoro-4-(oxolan-2-ylmethoxy)phenyl]-N-methylethanamine
CID 43285091
3-[[(2S)-oxan-2-yl]methoxy]benzaldehyde
CID 93037571
5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline
CID 40822784
3,4-bis(oxiran-2-ylmethoxy)benzaldehyde
CID 175734853
3,5-difluoro-4-[3-(oxolan-2-yl)propoxy]benzaldehyde
CID 79891317
2-(oxolan-2-ylmethoxy)-5-phenylbenzaldehyde
CID 54795080
2-chloro-N'-[3-fluoro-4-(oxolan-2-ylmethoxy)phenyl]ethanimidamide
CID 169367930
2,3-difluoro-4-(oxolan-2-ylmethoxy)phenol
CID 147972497
4-[[(2S)-oxolan-2-yl]methoxymethyl]benzaldehyde
CID 97294037
1-[3-fluoro-4-(oxan-2-ylmethoxy)phenyl]-N-methylethanamine
CID 43285198

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(oxolan-2-ylmethoxy)benzaldehyde?
The IUPAC name of 3-fluoro-4-(oxolan-2-ylmethoxy)benzaldehyde (CID 43826140) is 3-fluoro-4-(oxolan-2-ylmethoxy)benzaldehyde.
What is the SMILES notation for 3-fluoro-4-(oxolan-2-ylmethoxy)benzaldehyde?
The canonical SMILES for 3-fluoro-4-(oxolan-2-ylmethoxy)benzaldehyde is O=Cc1ccc(OCC2CCCO2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(oxolan-2-ylmethoxy)benzaldehyde?
The InChIKey is QOEHWXXRDNTECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c13-11-6-9(7-14)3-4-12(11)16-8-10-2-1-5-15-10/h3-4,6-7,10H,1-2,5,8H2.
What are the key properties of 3-fluoro-4-(oxolan-2-ylmethoxy)benzaldehyde?
3-fluoro-4-(oxolan-2-ylmethoxy)benzaldehyde has a molecular weight of 224.23 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(oxolan-2-ylmethoxy)benzaldehyde is sourced from PubChem (CID 43826140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).