5-[(4-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]cyclohexa-1,3-diene-1-carbaldehyde

C14H15FO2 — CID 163851269

IUPAC5-[(4-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]cyclohexa-1,3-diene-1-carbaldehyde
SMILESO=CC1=CC=CC(COC2=CCC(F)C=C2)C1
InChIInChI=1S/C14H15FO2/c15-13-4-6-14(7-5-13)17-10-12-3-1-2-11(8-12)9-16/h1-4,6-7,9,12-13H,5,8,10H2
InChIKeyOUOIHQHQWUUFKJ-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.89
Rot. Bonds4

About 5-[(4-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]cyclohexa-1,3-diene-1-carbaldehyde

5-[(4-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]cyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 163851269) has the molecular formula C14H15FO2 and a molecular weight of 234.27 g/mol. Its IUPAC name is 5-[(4-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]cyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name5-[(4-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]cyclohexa-1,3-diene-1-carbaldehyde
PubChem CID163851269
Molecular FormulaC14H15FO2
Molecular Weight234.27 g/mol
Exact Mass234.11
IUPAC Name5-[(4-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]cyclohexa-1,3-diene-1-carbaldehyde
SMILESO=CC1=CC=CC(COC2=CCC(F)C=C2)C1
InChIInChI=1S/C14H15FO2/c15-13-4-6-14(7-5-13)17-10-12-3-1-2-11(8-12)9-16/h1-4,6-7,9,12-13H,5,8,10H2
InChIKeyOUOIHQHQWUUFKJ-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxycyclohexa-1,3-diene-1-carbaldehyde
CID 123562733
4,6a,8,10a-Tetrahydropyrano[2,3-h]chromene-6-carbaldehyde
CID 19971766
4-Prop-2-enoxycyclohexa-1,3-diene-1-carbaldehyde
CID 89093143
4-(4-Methylcyclohexa-1,5-dien-1-yl)oxycyclohexa-1,3-diene-1-carbaldehyde
CID 123170513
7-Methyl-2-oxo-7,8-dihydrochromene-6-carbaldehyde
CID 129157015

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]cyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 5-[(4-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]cyclohexa-1,3-diene-1-carbaldehyde (CID 163851269) is 5-[(4-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]cyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 5-[(4-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]cyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 5-[(4-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]cyclohexa-1,3-diene-1-carbaldehyde is O=CC1=CC=CC(COC2=CCC(F)C=C2)C1.
What is the InChIKey of 5-[(4-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]cyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is OUOIHQHQWUUFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO2/c15-13-4-6-14(7-5-13)17-10-12-3-1-2-11(8-12)9-16/h1-4,6-7,9,12-13H,5,8,10H2.
What are the key properties of 5-[(4-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]cyclohexa-1,3-diene-1-carbaldehyde?
5-[(4-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]cyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 234.27 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorocyclohexa-1,5-dien-1-yl)oxymethyl]cyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 163851269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).