7-hydroxy-5-(3-methylbut-3-en-2-yloxy)-4-propylchromen-2-one

C17H20O4 — CID 154723125

IUPAC7-hydroxy-5-(3-methylbut-3-en-2-yloxy)-4-propylchromen-2-one
SMILESC=C(C)C(C)Oc1cc(O)cc2oc(=O)cc(CCC)c12
InChIInChI=1S/C17H20O4/c1-5-6-12-7-16(19)21-15-9-13(18)8-14(17(12)15)20-11(4)10(2)3/h7-9,11,18H,2,5-6H2,1,3-4H3
InChIKeyBMQFMPPMXURWNG-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.79
Rot. Bonds5

About 7-hydroxy-5-(3-methylbut-3-en-2-yloxy)-4-propylchromen-2-one

7-hydroxy-5-(3-methylbut-3-en-2-yloxy)-4-propylchromen-2-one (PubChem CID 154723125) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 7-hydroxy-5-(3-methylbut-3-en-2-yloxy)-4-propylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-5-(3-methylbut-3-en-2-yloxy)-4-propylchromen-2-one
PubChem CID154723125
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name7-hydroxy-5-(3-methylbut-3-en-2-yloxy)-4-propylchromen-2-one
SMILESC=C(C)C(C)Oc1cc(O)cc2oc(=O)cc(CCC)c12
InChIInChI=1S/C17H20O4/c1-5-6-12-7-16(19)21-15-9-13(18)8-14(17(12)15)20-11(4)10(2)3/h7-9,11,18H,2,5-6H2,1,3-4H3
InChIKeyBMQFMPPMXURWNG-UHFFFAOYSA-N
XLogP3.79
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-5-[(2S)-3-oxobutan-2-yl]oxy-4-propylchromen-2-one
CID 933118
2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]propanoic acid
CID 3664519
4-ethyl-7-methyl-5-[(2S)-3-oxobutan-2-yl]oxychromen-2-one
CID 701525
3-methyl-2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]butanoic acid
CID 71949437
N-(2-hydroxy-2-phenylethyl)-2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanamide
CID 4911162
ethane;5-hydroxy-4-propylchromen-2-one
CID 142017980
(2R)-2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxypropanoic acid
CID 938033
7-(3-oxobutan-2-yloxy)-4-propylchromen-2-one
CID 3729942
2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetic acid
CID 662287
7-[(2S)-3-oxobutan-2-yl]oxy-4-propylchromen-2-one
CID 701574
5-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]oxy-4-ethyl-7-methylchromen-2-one
CID 171386494
5,7-dihydroxy-6-(2-methylbutanoyl)-4-propylchromen-2-one
CID 11034042

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-5-(3-methylbut-3-en-2-yloxy)-4-propylchromen-2-one?
The IUPAC name of 7-hydroxy-5-(3-methylbut-3-en-2-yloxy)-4-propylchromen-2-one (CID 154723125) is 7-hydroxy-5-(3-methylbut-3-en-2-yloxy)-4-propylchromen-2-one.
What is the SMILES notation for 7-hydroxy-5-(3-methylbut-3-en-2-yloxy)-4-propylchromen-2-one?
The canonical SMILES for 7-hydroxy-5-(3-methylbut-3-en-2-yloxy)-4-propylchromen-2-one is C=C(C)C(C)Oc1cc(O)cc2oc(=O)cc(CCC)c12.
What is the InChIKey of 7-hydroxy-5-(3-methylbut-3-en-2-yloxy)-4-propylchromen-2-one?
The InChIKey is BMQFMPPMXURWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-5-6-12-7-16(19)21-15-9-13(18)8-14(17(12)15)20-11(4)10(2)3/h7-9,11,18H,2,5-6H2,1,3-4H3.
What are the key properties of 7-hydroxy-5-(3-methylbut-3-en-2-yloxy)-4-propylchromen-2-one?
7-hydroxy-5-(3-methylbut-3-en-2-yloxy)-4-propylchromen-2-one has a molecular weight of 288.34 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5-(3-methylbut-3-en-2-yloxy)-4-propylchromen-2-one is sourced from PubChem (CID 154723125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).