4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenol

C22H17FO3 — CID 86199579

IUPAC4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenol
SMILESCOc1ccc2c(c1)OCC(c1ccc(F)cc1)=C2c1ccc(O)cc1
InChIInChI=1S/C22H17FO3/c1-25-18-10-11-19-21(12-18)26-13-20(14-2-6-16(23)7-3-14)22(19)15-4-8-17(24)9-5-15/h2-12,24H,13H2,1H3
InChIKeyDJFUQASUXHXZKF-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.89
Rot. Bonds3

About 4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenol

4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenol (PubChem CID 86199579) has the molecular formula C22H17FO3 and a molecular weight of 348.37 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenol.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenol
PubChem CID86199579
Molecular FormulaC22H17FO3
Molecular Weight348.37 g/mol
Exact Mass348.12
IUPAC Name4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenol
SMILESCOc1ccc2c(c1)OCC(c1ccc(F)cc1)=C2c1ccc(O)cc1
InChIInChI=1S/C22H17FO3/c1-25-18-10-11-19-21(12-18)26-13-20(14-2-6-16(23)7-3-14)22(19)15-4-8-17(24)9-5-15/h2-12,24H,13H2,1H3
InChIKeyDJFUQASUXHXZKF-UHFFFAOYSA-N
XLogP4.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenol?
The IUPAC name of 4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenol (CID 86199579) is 4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenol.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenol?
The canonical SMILES for 4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenol is COc1ccc2c(c1)OCC(c1ccc(F)cc1)=C2c1ccc(O)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenol?
The InChIKey is DJFUQASUXHXZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FO3/c1-25-18-10-11-19-21(12-18)26-13-20(14-2-6-16(23)7-3-14)22(19)15-4-8-17(24)9-5-15/h2-12,24H,13H2,1H3.
What are the key properties of 4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenol?
4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenol has a molecular weight of 348.37 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenol is sourced from PubChem (CID 86199579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).