2-[4-(dimethylamino)-3-methoxyphenyl]-3-fluoro-7,8-dimethoxychromen-4-one

C20H20FNO5 — CID 67891923

IUPAC2-[4-(dimethylamino)-3-methoxyphenyl]-3-fluoro-7,8-dimethoxychromen-4-one
SMILESCOc1cc(-c2oc3c(OC)c(OC)ccc3c(=O)c2F)ccc1N(C)C
InChIInChI=1S/C20H20FNO5/c1-22(2)13-8-6-11(10-15(13)25-4)18-16(21)17(23)12-7-9-14(24-3)20(26-5)19(12)27-18/h6-10H,1-5H3
InChIKeyUVXXXHJBEFRRHB-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.69
Rot. Bonds5

About 2-[4-(dimethylamino)-3-methoxyphenyl]-3-fluoro-7,8-dimethoxychromen-4-one

2-[4-(dimethylamino)-3-methoxyphenyl]-3-fluoro-7,8-dimethoxychromen-4-one (PubChem CID 67891923) has the molecular formula C20H20FNO5 and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-3-methoxyphenyl]-3-fluoro-7,8-dimethoxychromen-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)-3-methoxyphenyl]-3-fluoro-7,8-dimethoxychromen-4-one
PubChem CID67891923
Molecular FormulaC20H20FNO5
Molecular Weight373.38 g/mol
Exact Mass373.13
IUPAC Name2-[4-(dimethylamino)-3-methoxyphenyl]-3-fluoro-7,8-dimethoxychromen-4-one
SMILESCOc1cc(-c2oc3c(OC)c(OC)ccc3c(=O)c2F)ccc1N(C)C
InChIInChI=1S/C20H20FNO5/c1-22(2)13-8-6-11(10-15(13)25-4)18-16(21)17(23)12-7-9-14(24-3)20(26-5)19(12)27-18/h6-10H,1-5H3
InChIKeyUVXXXHJBEFRRHB-UHFFFAOYSA-N
XLogP3.69
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-3-methoxyphenyl]-3-fluoro-7,8-dimethoxychromen-4-one?
The IUPAC name of 2-[4-(dimethylamino)-3-methoxyphenyl]-3-fluoro-7,8-dimethoxychromen-4-one (CID 67891923) is 2-[4-(dimethylamino)-3-methoxyphenyl]-3-fluoro-7,8-dimethoxychromen-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)-3-methoxyphenyl]-3-fluoro-7,8-dimethoxychromen-4-one?
The canonical SMILES for 2-[4-(dimethylamino)-3-methoxyphenyl]-3-fluoro-7,8-dimethoxychromen-4-one is COc1cc(-c2oc3c(OC)c(OC)ccc3c(=O)c2F)ccc1N(C)C.
What is the InChIKey of 2-[4-(dimethylamino)-3-methoxyphenyl]-3-fluoro-7,8-dimethoxychromen-4-one?
The InChIKey is UVXXXHJBEFRRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO5/c1-22(2)13-8-6-11(10-15(13)25-4)18-16(21)17(23)12-7-9-14(24-3)20(26-5)19(12)27-18/h6-10H,1-5H3.
What are the key properties of 2-[4-(dimethylamino)-3-methoxyphenyl]-3-fluoro-7,8-dimethoxychromen-4-one?
2-[4-(dimethylamino)-3-methoxyphenyl]-3-fluoro-7,8-dimethoxychromen-4-one has a molecular weight of 373.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-3-methoxyphenyl]-3-fluoro-7,8-dimethoxychromen-4-one is sourced from PubChem (CID 67891923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).