8-amino-1-(difluoromethoxy)-7-methylbenzo[c]chromen-6-one

C15H11F2NO3 — CID 162598783

IUPAC8-amino-1-(difluoromethoxy)-7-methylbenzo[c]chromen-6-one
SMILESCc1c(N)ccc2c1c(=O)oc1cccc(OC(F)F)c12
InChIInChI=1S/C15H11F2NO3/c1-7-9(18)6-5-8-12(7)14(19)20-10-3-2-4-11(13(8)10)21-15(16)17/h2-6,15H,18H2,1H3
InChIKeyYSLVKRSZFWPFDE-UHFFFAOYSA-N
MW291.25 g/mol
LogP3.44
Rot. Bonds2

About 8-amino-1-(difluoromethoxy)-7-methylbenzo[c]chromen-6-one

8-amino-1-(difluoromethoxy)-7-methylbenzo[c]chromen-6-one (PubChem CID 162598783) has the molecular formula C15H11F2NO3 and a molecular weight of 291.25 g/mol. Its IUPAC name is 8-amino-1-(difluoromethoxy)-7-methylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name8-amino-1-(difluoromethoxy)-7-methylbenzo[c]chromen-6-one
PubChem CID162598783
Molecular FormulaC15H11F2NO3
Molecular Weight291.25 g/mol
Exact Mass291.07
IUPAC Name8-amino-1-(difluoromethoxy)-7-methylbenzo[c]chromen-6-one
SMILESCc1c(N)ccc2c1c(=O)oc1cccc(OC(F)F)c12
InChIInChI=1S/C15H11F2NO3/c1-7-9(18)6-5-8-12(7)14(19)20-10-3-2-4-11(13(8)10)21-15(16)17/h2-6,15H,18H2,1H3
InChIKeyYSLVKRSZFWPFDE-UHFFFAOYSA-N
XLogP3.44
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(difluoromethoxy)-2-methylbenzene;ethane
CID 145191188
3,4,5-trimethoxychromen-2-one
CID 19930053
(7-methyldibenzofuran-1-yl) acetate
CID 69395963
1,5-bis(difluoromethoxy)naphthalene
CID 166641341
dibenzofuran-1-yl acetate
CID 14227245
1-[6-amino-3-(difluoromethoxy)-2-methylphenyl]ethanone
CID 131379036
4-(difluoromethoxy)-1,2-benzothiazol-3-one
CID 57425210
(3-benzoyloxy-2-oxo-5-propan-2-yloxychromen-4-yl) benzoate
CID 19929192
9-methoxy-7,8-diphenylnaphtho[2,1-c]chromen-6-one
CID 166440625
[2-oxo-3,5-di(propan-2-yloxy)chromen-4-yl] benzoate
CID 19928818
2-[2-(difluoromethoxy)phenyl]-1,3-dimethylbenzene
CID 151061360
1-[3-(difluoromethoxy)-2-methylphenyl]ethanone
CID 70867743

Frequently Asked Questions

What is the IUPAC name of 8-amino-1-(difluoromethoxy)-7-methylbenzo[c]chromen-6-one?
The IUPAC name of 8-amino-1-(difluoromethoxy)-7-methylbenzo[c]chromen-6-one (CID 162598783) is 8-amino-1-(difluoromethoxy)-7-methylbenzo[c]chromen-6-one.
What is the SMILES notation for 8-amino-1-(difluoromethoxy)-7-methylbenzo[c]chromen-6-one?
The canonical SMILES for 8-amino-1-(difluoromethoxy)-7-methylbenzo[c]chromen-6-one is Cc1c(N)ccc2c1c(=O)oc1cccc(OC(F)F)c12.
What is the InChIKey of 8-amino-1-(difluoromethoxy)-7-methylbenzo[c]chromen-6-one?
The InChIKey is YSLVKRSZFWPFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO3/c1-7-9(18)6-5-8-12(7)14(19)20-10-3-2-4-11(13(8)10)21-15(16)17/h2-6,15H,18H2,1H3.
What are the key properties of 8-amino-1-(difluoromethoxy)-7-methylbenzo[c]chromen-6-one?
8-amino-1-(difluoromethoxy)-7-methylbenzo[c]chromen-6-one has a molecular weight of 291.25 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-(difluoromethoxy)-7-methylbenzo[c]chromen-6-one is sourced from PubChem (CID 162598783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).