5-cyclopent-3-en-1-yloxy-2-fluoro-4-methoxybenzaldehyde

C13H13FO3 — CID 22145852

IUPAC5-cyclopent-3-en-1-yloxy-2-fluoro-4-methoxybenzaldehyde
SMILESCOc1cc(F)c(C=O)cc1OC1CC=CC1
InChIInChI=1S/C13H13FO3/c1-16-12-7-11(14)9(8-15)6-13(12)17-10-4-2-3-5-10/h2-3,6-8,10H,4-5H2,1H3
InChIKeyVYPDVILJTJGOEN-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.74
Rot. Bonds4

About 5-cyclopent-3-en-1-yloxy-2-fluoro-4-methoxybenzaldehyde

5-cyclopent-3-en-1-yloxy-2-fluoro-4-methoxybenzaldehyde (PubChem CID 22145852) has the molecular formula C13H13FO3 and a molecular weight of 236.24 g/mol. Its IUPAC name is 5-cyclopent-3-en-1-yloxy-2-fluoro-4-methoxybenzaldehyde.

Molecular Properties

Compound Name5-cyclopent-3-en-1-yloxy-2-fluoro-4-methoxybenzaldehyde
PubChem CID22145852
Molecular FormulaC13H13FO3
Molecular Weight236.24 g/mol
Exact Mass236.08
IUPAC Name5-cyclopent-3-en-1-yloxy-2-fluoro-4-methoxybenzaldehyde
SMILESCOc1cc(F)c(C=O)cc1OC1CC=CC1
InChIInChI=1S/C13H13FO3/c1-16-12-7-11(14)9(8-15)6-13(12)17-10-4-2-3-5-10/h2-3,6-8,10H,4-5H2,1H3
InChIKeyVYPDVILJTJGOEN-UHFFFAOYSA-N
XLogP2.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-methoxy-5-propoxybenzaldehyde
CID 22145775
1-cyclopentyloxy-5-[2-(2,6-difluorophenyl)ethenyl]-4-fluoro-2-methoxybenzene
CID 54123173
CID 89110154
CID 89110154
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
4-fluoro-2-methoxy-5-methylbenzaldehyde
CID 54566251
5-cyclopentyloxy-2-fluoro-4-methoxybenzoic acid
CID 22145848
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxybenzaldehyde
CID 58086251
5-cyclopentyloxy-2-fluoro-4-methoxybenzoyl chloride
CID 22145711
4-fluoro-2-iodo-5-methoxybenzaldehyde
CID 171016936
4-bromo-2-fluoro-5-hydroxybenzaldehyde;4-bromo-2-fluoro-5-methoxybenzaldehyde
CID 160822889
1,2-difluoro-4,5-dimethoxybenzene
CID 853175

Frequently Asked Questions

What is the IUPAC name of 5-cyclopent-3-en-1-yloxy-2-fluoro-4-methoxybenzaldehyde?
The IUPAC name of 5-cyclopent-3-en-1-yloxy-2-fluoro-4-methoxybenzaldehyde (CID 22145852) is 5-cyclopent-3-en-1-yloxy-2-fluoro-4-methoxybenzaldehyde.
What is the SMILES notation for 5-cyclopent-3-en-1-yloxy-2-fluoro-4-methoxybenzaldehyde?
The canonical SMILES for 5-cyclopent-3-en-1-yloxy-2-fluoro-4-methoxybenzaldehyde is COc1cc(F)c(C=O)cc1OC1CC=CC1.
What is the InChIKey of 5-cyclopent-3-en-1-yloxy-2-fluoro-4-methoxybenzaldehyde?
The InChIKey is VYPDVILJTJGOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO3/c1-16-12-7-11(14)9(8-15)6-13(12)17-10-4-2-3-5-10/h2-3,6-8,10H,4-5H2,1H3.
What are the key properties of 5-cyclopent-3-en-1-yloxy-2-fluoro-4-methoxybenzaldehyde?
5-cyclopent-3-en-1-yloxy-2-fluoro-4-methoxybenzaldehyde has a molecular weight of 236.24 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopent-3-en-1-yloxy-2-fluoro-4-methoxybenzaldehyde is sourced from PubChem (CID 22145852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).