6-hydroxy-7-(2-methylbut-3-en-2-yloxy)chromen-2-one

C14H14O4 — CID 71318720

IUPAC6-hydroxy-7-(2-methylbut-3-en-2-yloxy)chromen-2-one
SMILESC=CC(C)(C)Oc1cc2oc(=O)ccc2cc1O
InChIInChI=1S/C14H14O4/c1-4-14(2,3)18-12-8-11-9(7-10(12)15)5-6-13(16)17-11/h4-8,15H,1H2,2-3H3
InChIKeyYFUOPXKMAHJWQD-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.84
Rot. Bonds3

About 6-hydroxy-7-(2-methylbut-3-en-2-yloxy)chromen-2-one

6-hydroxy-7-(2-methylbut-3-en-2-yloxy)chromen-2-one (PubChem CID 71318720) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 6-hydroxy-7-(2-methylbut-3-en-2-yloxy)chromen-2-one.

Molecular Properties

Compound Name6-hydroxy-7-(2-methylbut-3-en-2-yloxy)chromen-2-one
PubChem CID71318720
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name6-hydroxy-7-(2-methylbut-3-en-2-yloxy)chromen-2-one
SMILESC=CC(C)(C)Oc1cc2oc(=O)ccc2cc1O
InChIInChI=1S/C14H14O4/c1-4-14(2,3)18-12-8-11-9(7-10(12)15)5-6-13(16)17-11/h4-8,15H,1H2,2-3H3
InChIKeyYFUOPXKMAHJWQD-UHFFFAOYSA-N
XLogP2.84
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.84
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-(2-fluoro-2-methylpropoxy)-6-hydroxychromen-2-one
CID 86273030
6-hydroxy-7-propoxychromen-2-one
CID 101030918
7-ethoxy-6-hydroxychromen-2-one
CID 13031686
6,7-dihydroxychromen-2-one
CID 5281416
9-(2-methylbut-3-en-2-yloxy)furo[3,2-g]chromen-7-one
CID 71331273
6,7-dihydroxychromen-2-one;phosphane
CID 175526881
2,5-dihydroxy-4-methoxybenzaldehyde;6-hydroxy-7-methoxychromen-2-one
CID 160954791
6-hydroxy-7-(1-iodobutan-2-yloxy)chromen-2-one
CID 86272802
7-hydroxychromen-2-one;7-hydroxy-6-methoxychromen-2-one
CID 158863716
6-hydroxy-7-[(E)-4-hydroxy-3-methylbut-2-enoxy]chromen-2-one
CID 102187242
7-methoxy-6-[(E)-3-methoxy-3-methylbut-1-enyl]chromen-2-one
CID 14212556
7-hydroxy-6-(2-hydroxyphenoxy)chromen-2-one
CID 163056990

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-7-(2-methylbut-3-en-2-yloxy)chromen-2-one?
The IUPAC name of 6-hydroxy-7-(2-methylbut-3-en-2-yloxy)chromen-2-one (CID 71318720) is 6-hydroxy-7-(2-methylbut-3-en-2-yloxy)chromen-2-one.
What is the SMILES notation for 6-hydroxy-7-(2-methylbut-3-en-2-yloxy)chromen-2-one?
The canonical SMILES for 6-hydroxy-7-(2-methylbut-3-en-2-yloxy)chromen-2-one is C=CC(C)(C)Oc1cc2oc(=O)ccc2cc1O.
What is the InChIKey of 6-hydroxy-7-(2-methylbut-3-en-2-yloxy)chromen-2-one?
The InChIKey is YFUOPXKMAHJWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-4-14(2,3)18-12-8-11-9(7-10(12)15)5-6-13(16)17-11/h4-8,15H,1H2,2-3H3.
What are the key properties of 6-hydroxy-7-(2-methylbut-3-en-2-yloxy)chromen-2-one?
6-hydroxy-7-(2-methylbut-3-en-2-yloxy)chromen-2-one has a molecular weight of 246.26 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-7-(2-methylbut-3-en-2-yloxy)chromen-2-one is sourced from PubChem (CID 71318720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).