7-methoxychromen-4-one;nonane

C19H28O3 — CID 175037162

IUPAC7-methoxychromen-4-one;nonane
SMILESCCCCCCCCC.COc1ccc2c(=O)ccoc2c1
InChIInChI=1S/C10H8O3.C9H20/c1-12-7-2-3-8-9(11)4-5-13-10(8)6-7;1-3-5-7-9-8-6-4-2/h2-6H,1H3;3-9H2,1-2H3
InChIKeyTZKAYDFXWZUHSP-UHFFFAOYSA-N
MW304.43 g/mol
LogP5.56
Rot. Bonds7

About 7-methoxychromen-4-one;nonane

7-methoxychromen-4-one;nonane (PubChem CID 175037162) has the molecular formula C19H28O3 and a molecular weight of 304.43 g/mol. Its IUPAC name is 7-methoxychromen-4-one;nonane.

Molecular Properties

Compound Name7-methoxychromen-4-one;nonane
PubChem CID175037162
Molecular FormulaC19H28O3
Molecular Weight304.43 g/mol
Exact Mass304.20
IUPAC Name7-methoxychromen-4-one;nonane
SMILESCCCCCCCCC.COc1ccc2c(=O)ccoc2c1
InChIInChI=1S/C10H8O3.C9H20/c1-12-7-2-3-8-9(11)4-5-13-10(8)6-7;1-3-5-7-9-8-6-4-2/h2-6H,1H3;3-9H2,1-2H3
InChIKeyTZKAYDFXWZUHSP-UHFFFAOYSA-N
XLogP5.56
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.43
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-decylchromen-4-one
CID 143676648
(4-oxochromen-7-yl) 4-methoxybenzoate
CID 134096425
(4-oxochromen-7-yl) acetate
CID 20979816
2-ethyl-7-methoxychromen-4-one
CID 10013150
(4-oxochromen-7-yl) hydrogen sulfate
CID 141201790
3-hexoxy-4-hydroxy-7-methoxychromen-2-one
CID 54694152
[4-(7-methoxy-4-oxochromen-3-yl)phenyl] octadecanoate
CID 46887096
7-[(4-chlorophenyl)methoxy]chromen-4-one
CID 70702064
2-(3-chloropropyl)-7-methoxychromen-4-one
CID 134910908
(NZ)-N-(7-methoxychromen-4-ylidene)hydroxylamine
CID 175464184
7-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 70491116
7-(difluoromethoxy)chromen-4-one;7-hydroxychromen-4-one
CID 159090202

Frequently Asked Questions

What is the IUPAC name of 7-methoxychromen-4-one;nonane?
The IUPAC name of 7-methoxychromen-4-one;nonane (CID 175037162) is 7-methoxychromen-4-one;nonane.
What is the SMILES notation for 7-methoxychromen-4-one;nonane?
The canonical SMILES for 7-methoxychromen-4-one;nonane is CCCCCCCCC.COc1ccc2c(=O)ccoc2c1.
What is the InChIKey of 7-methoxychromen-4-one;nonane?
The InChIKey is TZKAYDFXWZUHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3.C9H20/c1-12-7-2-3-8-9(11)4-5-13-10(8)6-7;1-3-5-7-9-8-6-4-2/h2-6H,1H3;3-9H2,1-2H3.
What are the key properties of 7-methoxychromen-4-one;nonane?
7-methoxychromen-4-one;nonane has a molecular weight of 304.43 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxychromen-4-one;nonane is sourced from PubChem (CID 175037162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).