3-fluoro-2-(2-hydroxycyclopentyl)oxybenzaldehyde

C12H13FO3 — CID 112611768

IUPAC3-fluoro-2-(2-hydroxycyclopentyl)oxybenzaldehyde
SMILESO=Cc1cccc(F)c1OC1CCCC1O
InChIInChI=1S/C12H13FO3/c13-9-4-1-3-8(7-14)12(9)16-11-6-2-5-10(11)15/h1,3-4,7,10-11,15H,2,5-6H2
InChIKeyXPKONKZKPHKSNM-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.93
Rot. Bonds3

About 3-fluoro-2-(2-hydroxycyclopentyl)oxybenzaldehyde

3-fluoro-2-(2-hydroxycyclopentyl)oxybenzaldehyde (PubChem CID 112611768) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 3-fluoro-2-(2-hydroxycyclopentyl)oxybenzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-(2-hydroxycyclopentyl)oxybenzaldehyde
PubChem CID112611768
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name3-fluoro-2-(2-hydroxycyclopentyl)oxybenzaldehyde
SMILESO=Cc1cccc(F)c1OC1CCCC1O
InChIInChI=1S/C12H13FO3/c13-9-4-1-3-8(7-14)12(9)16-11-6-2-5-10(11)15/h1,3-4,7,10-11,15H,2,5-6H2
InChIKeyXPKONKZKPHKSNM-UHFFFAOYSA-N
XLogP1.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-(2-hydroxycyclopentyl)oxybenzaldehyde
CID 61391436
2-(2-hydroxycyclopentyl)oxybenzaldehyde
CID 60886689
3,5-difluoro-4-(2-hydroxycyclohexyl)oxybenzaldehyde
CID 79891467
trans-(1S,2S)-2-(2,6-dichlorophenoxy)cyclopentan-1-ol
CID 102735470
N-cyclohexyl-2-(2-fluoro-6-formylphenoxy)acetamide
CID 115955712
3-fluoro-4-(2-hydroxycyclohexyl)oxybenzaldehyde
CID 107689607
5-chloro-2-(2-hydroxycyclohexyl)oxybenzaldehyde
CID 60884420
2-(2-hydroxycyclopentyl)oxy-5-methoxybenzaldehyde
CID 60883746
4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde
CID 87176687
(2-hydroxycyclohexyl) 2-formylbenzoate
CID 86121789
3-fluoro-2-prop-2-enoxybenzaldehyde
CID 112611625
2-(3-bromo-4-fluorophenoxy)cyclopentan-1-ol
CID 83234151

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-hydroxycyclopentyl)oxybenzaldehyde?
The IUPAC name of 3-fluoro-2-(2-hydroxycyclopentyl)oxybenzaldehyde (CID 112611768) is 3-fluoro-2-(2-hydroxycyclopentyl)oxybenzaldehyde.
What is the SMILES notation for 3-fluoro-2-(2-hydroxycyclopentyl)oxybenzaldehyde?
The canonical SMILES for 3-fluoro-2-(2-hydroxycyclopentyl)oxybenzaldehyde is O=Cc1cccc(F)c1OC1CCCC1O.
What is the InChIKey of 3-fluoro-2-(2-hydroxycyclopentyl)oxybenzaldehyde?
The InChIKey is XPKONKZKPHKSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c13-9-4-1-3-8(7-14)12(9)16-11-6-2-5-10(11)15/h1,3-4,7,10-11,15H,2,5-6H2.
What are the key properties of 3-fluoro-2-(2-hydroxycyclopentyl)oxybenzaldehyde?
3-fluoro-2-(2-hydroxycyclopentyl)oxybenzaldehyde has a molecular weight of 224.23 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2-hydroxycyclopentyl)oxybenzaldehyde is sourced from PubChem (CID 112611768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).