7-(difluoromethoxy)chromen-4-one;7-hydroxychromen-4-one

C19H12F2O6 — CID 159090202

IUPAC7-(difluoromethoxy)chromen-4-one;7-hydroxychromen-4-one
SMILESO=c1ccoc2cc(O)ccc12.O=c1ccoc2cc(OC(F)F)ccc12
InChIInChI=1S/C10H6F2O3.C9H6O3/c11-10(12)15-6-1-2-7-8(13)3-4-14-9(7)5-6;10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5,10H;1-5,10H
InChIKeyKBYSEBVQJUPXKX-UHFFFAOYSA-N
MW374.30 g/mol
LogP3.89
Rot. Bonds2

About 7-(difluoromethoxy)chromen-4-one;7-hydroxychromen-4-one

7-(difluoromethoxy)chromen-4-one;7-hydroxychromen-4-one (PubChem CID 159090202) has the molecular formula C19H12F2O6 and a molecular weight of 374.30 g/mol. Its IUPAC name is 7-(difluoromethoxy)chromen-4-one;7-hydroxychromen-4-one.

Molecular Properties

Compound Name7-(difluoromethoxy)chromen-4-one;7-hydroxychromen-4-one
PubChem CID159090202
Molecular FormulaC19H12F2O6
Molecular Weight374.30 g/mol
Exact Mass374.06
IUPAC Name7-(difluoromethoxy)chromen-4-one;7-hydroxychromen-4-one
SMILESO=c1ccoc2cc(O)ccc12.O=c1ccoc2cc(OC(F)F)ccc12
InChIInChI=1S/C10H6F2O3.C9H6O3/c11-10(12)15-6-1-2-7-8(13)3-4-14-9(7)5-6;10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5,10H;1-5,10H
InChIKeyKBYSEBVQJUPXKX-UHFFFAOYSA-N
XLogP3.89
TPSA89.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-oxochromen-7-yl) acetate
CID 20979816
(4-oxochromen-7-yl) 2,2-dimethylpropanoate
CID 135075316
(4-oxochromen-7-yl) hydrogen sulfate
CID 141201790
(4-oxochromen-7-yl) 4-methoxybenzoate
CID 134096425
7-[(4-chlorophenyl)methoxy]chromen-4-one
CID 70702064
(4-oxochromen-6-yl) acetate
CID 119082318
7-methoxychromen-4-one;nonane
CID 175037162
7-bromochromen-4-one
CID 18686752
2-chloro-N-[4-(difluoromethoxy)phenyl]-5-hydroxybenzamide
CID 106501367
7-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 70491116
7-(difluoromethoxy)-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
CID 25061265
7-phenylchromen-4-one
CID 57034493

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethoxy)chromen-4-one;7-hydroxychromen-4-one?
The IUPAC name of 7-(difluoromethoxy)chromen-4-one;7-hydroxychromen-4-one (CID 159090202) is 7-(difluoromethoxy)chromen-4-one;7-hydroxychromen-4-one.
What is the SMILES notation for 7-(difluoromethoxy)chromen-4-one;7-hydroxychromen-4-one?
The canonical SMILES for 7-(difluoromethoxy)chromen-4-one;7-hydroxychromen-4-one is O=c1ccoc2cc(O)ccc12.O=c1ccoc2cc(OC(F)F)ccc12.
What is the InChIKey of 7-(difluoromethoxy)chromen-4-one;7-hydroxychromen-4-one?
The InChIKey is KBYSEBVQJUPXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2O3.C9H6O3/c11-10(12)15-6-1-2-7-8(13)3-4-14-9(7)5-6;10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5,10H;1-5,10H.
What are the key properties of 7-(difluoromethoxy)chromen-4-one;7-hydroxychromen-4-one?
7-(difluoromethoxy)chromen-4-one;7-hydroxychromen-4-one has a molecular weight of 374.30 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethoxy)chromen-4-one;7-hydroxychromen-4-one is sourced from PubChem (CID 159090202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).