7-[(2,6-dimethyl-4-pyridinyl)methoxy]-6-fluoro-8-methyl-2,3-dihydrochromen-4-one

C18H18FNO3 — CID 156870785

IUPAC7-[(2,6-dimethyl-4-pyridinyl)methoxy]-6-fluoro-8-methyl-2,3-dihydrochromen-4-one
SMILESCc1cc(COc2c(F)cc3c(c2C)OCCC3=O)cc(C)n1
InChIInChI=1S/C18H18FNO3/c1-10-6-13(7-11(2)20-10)9-23-18-12(3)17-14(8-15(18)19)16(21)4-5-22-17/h6-8H,4-5,9H2,1-3H3
InChIKeyHDLRZSLHIKYZTA-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.69
Rot. Bonds3

About 7-[(2,6-dimethyl-4-pyridinyl)methoxy]-6-fluoro-8-methyl-2,3-dihydrochromen-4-one

7-[(2,6-dimethyl-4-pyridinyl)methoxy]-6-fluoro-8-methyl-2,3-dihydrochromen-4-one (PubChem CID 156870785) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is 7-[(2,6-dimethyl-4-pyridinyl)methoxy]-6-fluoro-8-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-[(2,6-dimethyl-4-pyridinyl)methoxy]-6-fluoro-8-methyl-2,3-dihydrochromen-4-one
PubChem CID156870785
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name7-[(2,6-dimethyl-4-pyridinyl)methoxy]-6-fluoro-8-methyl-2,3-dihydrochromen-4-one
SMILESCc1cc(COc2c(F)cc3c(c2C)OCCC3=O)cc(C)n1
InChIInChI=1S/C18H18FNO3/c1-10-6-13(7-11(2)20-10)9-23-18-12(3)17-14(8-15(18)19)16(21)4-5-22-17/h6-8H,4-5,9H2,1-3H3
InChIKeyHDLRZSLHIKYZTA-UHFFFAOYSA-N
XLogP3.69
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,6-dimethyl-4-pyridinyl)methoxy]-6-fluoro-8-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 7-[(2,6-dimethyl-4-pyridinyl)methoxy]-6-fluoro-8-methyl-2,3-dihydrochromen-4-one (CID 156870785) is 7-[(2,6-dimethyl-4-pyridinyl)methoxy]-6-fluoro-8-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-[(2,6-dimethyl-4-pyridinyl)methoxy]-6-fluoro-8-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-[(2,6-dimethyl-4-pyridinyl)methoxy]-6-fluoro-8-methyl-2,3-dihydrochromen-4-one is Cc1cc(COc2c(F)cc3c(c2C)OCCC3=O)cc(C)n1.
What is the InChIKey of 7-[(2,6-dimethyl-4-pyridinyl)methoxy]-6-fluoro-8-methyl-2,3-dihydrochromen-4-one?
The InChIKey is HDLRZSLHIKYZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-10-6-13(7-11(2)20-10)9-23-18-12(3)17-14(8-15(18)19)16(21)4-5-22-17/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 7-[(2,6-dimethyl-4-pyridinyl)methoxy]-6-fluoro-8-methyl-2,3-dihydrochromen-4-one?
7-[(2,6-dimethyl-4-pyridinyl)methoxy]-6-fluoro-8-methyl-2,3-dihydrochromen-4-one has a molecular weight of 315.34 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,6-dimethyl-4-pyridinyl)methoxy]-6-fluoro-8-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 156870785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).