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'}

Analyze 2-ethyl-3-(3-fluorophenyl)-4H-chromene-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,5-difluorophenyl)-2-ethyl-4H-chromene-4-carbaldehyde
CID 174801175
2-ethyl-3-(4-fluorophenyl)-4H-chromene-4-carbaldehyde
CID 174678006
[4-[3-(3-fluorophenyl)-4-formyl-4H-chromen-2-yl]phenyl]methanesulfinate
CID 174375895
2-(bromomethyl)-3-(2-fluorophenyl)-4H-chromene-4-carbaldehyde
CID 174801140
2-[1-[4-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-(3-fluorophenyl)-4H-chromene-4-carbaldehyde
CID 174665788
2,4-diethyl-9H-xanthene-9-carbaldehyde
CID 174679590
2-[1-[4-amino-3-(2-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-(3-fluorophenyl)-4H-chromene-4-carbaldehyde
CID 174665852
2-[[4-amino-3-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-phenyl-4H-chromene-4-carbaldehyde
CID 174790599
2-(imidazol-1-ylmethyl)-3-phenyl-4H-chromene-4-carbaldehyde
CID 174678056
2-[1-[4-amino-3-[5-(hydroxymethyl)thiophen-3-yl]pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-(3-fluorophenyl)-4H-chromene-4-carbaldehyde
CID 174665805
2-[1-[4-amino-3-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-(3-fluorophenyl)-4H-chromene-4-carbaldehyde
CID 174678002
[4-[3-(4-fluorophenyl)-4-formyl-4H-chromen-2-yl]phenyl]methanesulfinic acid
CID 174376185

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).