6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one

C10H9FO3 — CID 156871065

IUPAC6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one
SMILESCc1c(O)c(F)cc2c1OCCC2=O
InChIInChI=1S/C10H9FO3/c1-5-9(13)7(11)4-6-8(12)2-3-14-10(5)6/h4,13H,2-3H2,1H3
InChIKeyULFXKGOXQDAVPW-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.80
Rot. Bonds

About 6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one

6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one (PubChem CID 156871065) has the molecular formula C10H9FO3 and a molecular weight of 196.18 g/mol. Its IUPAC name is 6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one
PubChem CID156871065
Molecular FormulaC10H9FO3
Molecular Weight196.18 g/mol
Exact Mass196.05
IUPAC Name6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one
SMILESCc1c(O)c(F)cc2c1OCCC2=O
InChIInChI=1S/C10H9FO3/c1-5-9(13)7(11)4-6-8(12)2-3-14-10(5)6/h4,13H,2-3H2,1H3
InChIKeyULFXKGOXQDAVPW-UHFFFAOYSA-N
XLogP1.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-6-methyl-2,3-dihydrochromen-4-one
CID 55297608
6-fluoro-2,3-dihydrobenzo[h]chromen-4-one
CID 175094711
7-amino-8-methyl-2,3-dihydrochromen-4-one
CID 55297743
5-fluoro-8-methyl-2,3-dihydrochromen-4-one
CID 55273706
6-fluoro-7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-8-methyl-2,3-dihydrochromen-4-one
CID 156871515
6,7-dihydroxy-2,3-dihydrochromen-4-one
CID 23244452
6,8-bis(methylsulfanyl)-2,3-dihydrochromen-4-one
CID 175565086
8-methyl-7-sulfanyloxy-2,3-dihydrochromen-4-one
CID 156871270
(6-fluoro-4-oxo-2,3-dihydrochromen-8-yl) thiohypochlorite
CID 175013196
6-fluoro-4-oxo-2,3-dihydrochromene-7-carbonitrile
CID 55271494
7-methyl-2,3-dihydrochromen-4-one;hydrochloride
CID 127263931
7-[(2,6-dimethyl-4-pyridinyl)methoxy]-8-methyl-2,3-dihydrochromen-4-one
CID 156871495

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one (CID 156871065) is 6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one is Cc1c(O)c(F)cc2c1OCCC2=O.
What is the InChIKey of 6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one?
The InChIKey is ULFXKGOXQDAVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3/c1-5-9(13)7(11)4-6-8(12)2-3-14-10(5)6/h4,13H,2-3H2,1H3.
What are the key properties of 6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one?
6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one has a molecular weight of 196.18 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-hydroxy-8-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 156871065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).