(8-fluoro-5H-chromen-3-yl)-(2-hydroxy-4-methoxyphenyl)methanone

C17H13FO4 — CID 142741662

IUPAC(8-fluoro-5H-chromen-3-yl)-(2-hydroxy-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2=COC3=C(F)C=CCC3=C2)c(O)c1
InChIInChI=1S/C17H13FO4/c1-21-12-5-6-13(15(19)8-12)16(20)11-7-10-3-2-4-14(18)17(10)22-9-11/h2,4-9,19H,3H2,1H3
InChIKeyXXEAMDQGYLMPPE-UHFFFAOYSA-N
MW300.29 g/mol
LogP3.57
Rot. Bonds3

About (8-fluoro-5H-chromen-3-yl)-(2-hydroxy-4-methoxyphenyl)methanone

(8-fluoro-5H-chromen-3-yl)-(2-hydroxy-4-methoxyphenyl)methanone (PubChem CID 142741662) has the molecular formula C17H13FO4 and a molecular weight of 300.29 g/mol. Its IUPAC name is (8-fluoro-5H-chromen-3-yl)-(2-hydroxy-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(8-fluoro-5H-chromen-3-yl)-(2-hydroxy-4-methoxyphenyl)methanone
PubChem CID142741662
Molecular FormulaC17H13FO4
Molecular Weight300.29 g/mol
Exact Mass300.08
IUPAC Name(8-fluoro-5H-chromen-3-yl)-(2-hydroxy-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2=COC3=C(F)C=CCC3=C2)c(O)c1
InChIInChI=1S/C17H13FO4/c1-21-12-5-6-13(15(19)8-12)16(20)11-7-10-3-2-4-14(18)17(10)22-9-11/h2,4-9,19H,3H2,1H3
InChIKeyXXEAMDQGYLMPPE-UHFFFAOYSA-N
XLogP3.57
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-fluoro-5H-chromen-3-yl)-(2-hydroxy-4-methoxyphenyl)methanone?
The IUPAC name of (8-fluoro-5H-chromen-3-yl)-(2-hydroxy-4-methoxyphenyl)methanone (CID 142741662) is (8-fluoro-5H-chromen-3-yl)-(2-hydroxy-4-methoxyphenyl)methanone.
What is the SMILES notation for (8-fluoro-5H-chromen-3-yl)-(2-hydroxy-4-methoxyphenyl)methanone?
The canonical SMILES for (8-fluoro-5H-chromen-3-yl)-(2-hydroxy-4-methoxyphenyl)methanone is COc1ccc(C(=O)C2=COC3=C(F)C=CCC3=C2)c(O)c1.
What is the InChIKey of (8-fluoro-5H-chromen-3-yl)-(2-hydroxy-4-methoxyphenyl)methanone?
The InChIKey is XXEAMDQGYLMPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO4/c1-21-12-5-6-13(15(19)8-12)16(20)11-7-10-3-2-4-14(18)17(10)22-9-11/h2,4-9,19H,3H2,1H3.
What are the key properties of (8-fluoro-5H-chromen-3-yl)-(2-hydroxy-4-methoxyphenyl)methanone?
(8-fluoro-5H-chromen-3-yl)-(2-hydroxy-4-methoxyphenyl)methanone has a molecular weight of 300.29 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoro-5H-chromen-3-yl)-(2-hydroxy-4-methoxyphenyl)methanone is sourced from PubChem (CID 142741662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).