5-(4-fluorophenyl)-2-(1-hydroxyethyl)-4H-chromene-4-carbaldehyde

C18H15FO3 — CID 174714828

IUPAC5-(4-fluorophenyl)-2-(1-hydroxyethyl)-4H-chromene-4-carbaldehyde
SMILESCC(O)C1=CC(C=O)c2c(cccc2-c2ccc(F)cc2)O1
InChIInChI=1S/C18H15FO3/c1-11(21)17-9-13(10-20)18-15(3-2-4-16(18)22-17)12-5-7-14(19)8-6-12/h2-11,13,21H,1H3
InChIKeyNAJIHPZYGYKJFU-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.43
Rot. Bonds3

About 5-(4-fluorophenyl)-2-(1-hydroxyethyl)-4H-chromene-4-carbaldehyde

5-(4-fluorophenyl)-2-(1-hydroxyethyl)-4H-chromene-4-carbaldehyde (PubChem CID 174714828) has the molecular formula C18H15FO3 and a molecular weight of 298.31 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-(1-hydroxyethyl)-4H-chromene-4-carbaldehyde.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-(1-hydroxyethyl)-4H-chromene-4-carbaldehyde
PubChem CID174714828
Molecular FormulaC18H15FO3
Molecular Weight298.31 g/mol
Exact Mass298.10
IUPAC Name5-(4-fluorophenyl)-2-(1-hydroxyethyl)-4H-chromene-4-carbaldehyde
SMILESCC(O)C1=CC(C=O)c2c(cccc2-c2ccc(F)cc2)O1
InChIInChI=1S/C18H15FO3/c1-11(21)17-9-13(10-20)18-15(3-2-4-16(18)22-17)12-5-7-14(19)8-6-12/h2-11,13,21H,1H3
InChIKeyNAJIHPZYGYKJFU-UHFFFAOYSA-N
XLogP3.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-fluorophenyl)-2-(1-hydroxyethyl)-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

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-(1-hydroxyethyl)-4H-chromene-4-carbaldehyde?
The IUPAC name of 5-(4-fluorophenyl)-2-(1-hydroxyethyl)-4H-chromene-4-carbaldehyde (CID 174714828) is 5-(4-fluorophenyl)-2-(1-hydroxyethyl)-4H-chromene-4-carbaldehyde.
What is the SMILES notation for 5-(4-fluorophenyl)-2-(1-hydroxyethyl)-4H-chromene-4-carbaldehyde?
The canonical SMILES for 5-(4-fluorophenyl)-2-(1-hydroxyethyl)-4H-chromene-4-carbaldehyde is CC(O)C1=CC(C=O)c2c(cccc2-c2ccc(F)cc2)O1.
What is the InChIKey of 5-(4-fluorophenyl)-2-(1-hydroxyethyl)-4H-chromene-4-carbaldehyde?
The InChIKey is NAJIHPZYGYKJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FO3/c1-11(21)17-9-13(10-20)18-15(3-2-4-16(18)22-17)12-5-7-14(19)8-6-12/h2-11,13,21H,1H3.
What are the key properties of 5-(4-fluorophenyl)-2-(1-hydroxyethyl)-4H-chromene-4-carbaldehyde?
5-(4-fluorophenyl)-2-(1-hydroxyethyl)-4H-chromene-4-carbaldehyde has a molecular weight of 298.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-(1-hydroxyethyl)-4H-chromene-4-carbaldehyde is sourced from PubChem (CID 174714828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).