2-ethyl-3-(3-fluorophenyl)-4H-chromene-4-carbaldehyde

C18H15FO2 — CID 174665888

IUPAC2-ethyl-3-(3-fluorophenyl)-4H-chromene-4-carbaldehyde
SMILESCCC1=C(c2cccc(F)c2)C(C=O)c2ccccc2O1
InChIInChI=1S/C18H15FO2/c1-2-16-18(12-6-5-7-13(19)10-12)15(11-20)14-8-3-4-9-17(14)21-16/h3-11,15H,2H2,1H3
InChIKeyFBTYBZMJHOGZML-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.32
Rot. Bonds3

About 2-ethyl-3-(3-fluorophenyl)-4H-chromene-4-carbaldehyde

2-ethyl-3-(3-fluorophenyl)-4H-chromene-4-carbaldehyde (PubChem CID 174665888) has the molecular formula C18H15FO2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-ethyl-3-(3-fluorophenyl)-4H-chromene-4-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-3-(3-fluorophenyl)-4H-chromene-4-carbaldehyde
PubChem CID174665888
Molecular FormulaC18H15FO2
Molecular Weight282.31 g/mol
Exact Mass282.11
IUPAC Name2-ethyl-3-(3-fluorophenyl)-4H-chromene-4-carbaldehyde
SMILESCCC1=C(c2cccc(F)c2)C(C=O)c2ccccc2O1
InChIInChI=1S/C18H15FO2/c1-2-16-18(12-6-5-7-13(19)10-12)15(11-20)14-8-3-4-9-17(14)21-16/h3-11,15H,2H2,1H3
InChIKeyFBTYBZMJHOGZML-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(3-fluorophenyl)-4H-chromene-4-carbaldehyde?
The IUPAC name of 2-ethyl-3-(3-fluorophenyl)-4H-chromene-4-carbaldehyde (CID 174665888) is 2-ethyl-3-(3-fluorophenyl)-4H-chromene-4-carbaldehyde.
What is the SMILES notation for 2-ethyl-3-(3-fluorophenyl)-4H-chromene-4-carbaldehyde?
The canonical SMILES for 2-ethyl-3-(3-fluorophenyl)-4H-chromene-4-carbaldehyde is CCC1=C(c2cccc(F)c2)C(C=O)c2ccccc2O1.
What is the InChIKey of 2-ethyl-3-(3-fluorophenyl)-4H-chromene-4-carbaldehyde?
The InChIKey is FBTYBZMJHOGZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FO2/c1-2-16-18(12-6-5-7-13(19)10-12)15(11-20)14-8-3-4-9-17(14)21-16/h3-11,15H,2H2,1H3.
What are the key properties of 2-ethyl-3-(3-fluorophenyl)-4H-chromene-4-carbaldehyde?
2-ethyl-3-(3-fluorophenyl)-4H-chromene-4-carbaldehyde has a molecular weight of 282.31 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(3-fluorophenyl)-4H-chromene-4-carbaldehyde is sourced from PubChem (CID 174665888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).