5-[(Z)-4-hydroxy-3-methylbut-2-enoxy]-7-methoxy-6-methyl-3H-2-benzofuran-1-one

C15H18O5 — CID 139585080

IUPAC5-[(Z)-4-hydroxy-3-methylbut-2-enoxy]-7-methoxy-6-methyl-3H-2-benzofuran-1-one
SMILESCOc1c(C)c(OC/C=C(/C)CO)cc2c1C(=O)OC2
InChIInChI=1S/C15H18O5/c1-9(7-16)4-5-19-12-6-11-8-20-15(17)13(11)14(18-3)10(12)2/h4,6,16H,5,7-8H2,1-3H3/b9-4-
InChIKeyAKQXDTZFGGTDHR-WTKPLQERSA-N
MW278.30 g/mol
LogP1.99
Rot. Bonds5

About 5-[(Z)-4-hydroxy-3-methylbut-2-enoxy]-7-methoxy-6-methyl-3H-2-benzofuran-1-one

5-[(Z)-4-hydroxy-3-methylbut-2-enoxy]-7-methoxy-6-methyl-3H-2-benzofuran-1-one (PubChem CID 139585080) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is 5-[(Z)-4-hydroxy-3-methylbut-2-enoxy]-7-methoxy-6-methyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-[(Z)-4-hydroxy-3-methylbut-2-enoxy]-7-methoxy-6-methyl-3H-2-benzofuran-1-one
PubChem CID139585080
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name5-[(Z)-4-hydroxy-3-methylbut-2-enoxy]-7-methoxy-6-methyl-3H-2-benzofuran-1-one
SMILESCOc1c(C)c(OC/C=C(/C)CO)cc2c1C(=O)OC2
InChIInChI=1S/C15H18O5/c1-9(7-16)4-5-19-12-6-11-8-20-15(17)13(11)14(18-3)10(12)2/h4,6,16H,5,7-8H2,1-3H3/b9-4-
InChIKeyAKQXDTZFGGTDHR-WTKPLQERSA-N
XLogP1.99
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4-hydroxy-3-methylbut-2-enoxy)-4-methoxy-5-methyl-2,3-dihydroisoindol-1-one
CID 162842496
5-hydroxy-7-(3-methylbut-2-enoxy)-3H-2-benzofuran-1-one
CID 163004880
4-[(7-methoxy-6-methyl-3-oxo-1H-2-benzofuran-5-yl)oxy]-2-methylbut-2-enoic acid
CID 162866753
methyl (E)-6-(4,6-dimethoxy-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
CID 101141979
5,7-dihydroxy-6-methoxy-3H-2-benzofuran-1-one
CID 102295970
methyl (E)-6-[4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoate
CID 10765290
8-methoxy-5H-furo[3,4-f][2]benzofuran-1,3,7-trione
CID 23247475
2-(7-methoxy-1-oxo-3H-2-benzofuran-5-yl)acetaldehyde
CID 77231250
4-hydroxy-6-methoxy-7-phenylmethoxy-1H-benzo[f][2]benzofuran-3-one
CID 142720681
5,7-dimethoxy-3H-2-benzofuran-1-one
CID 7314397
5-ethenyl-7-methoxy-3H-2-benzofuran-1-one
CID 66643933
5-(5,6-dimethoxy-3-oxo-1H-2-benzofuran-4-yl)furan-2-carbaldehyde
CID 169334391

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-4-hydroxy-3-methylbut-2-enoxy]-7-methoxy-6-methyl-3H-2-benzofuran-1-one?
The IUPAC name of 5-[(Z)-4-hydroxy-3-methylbut-2-enoxy]-7-methoxy-6-methyl-3H-2-benzofuran-1-one (CID 139585080) is 5-[(Z)-4-hydroxy-3-methylbut-2-enoxy]-7-methoxy-6-methyl-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-[(Z)-4-hydroxy-3-methylbut-2-enoxy]-7-methoxy-6-methyl-3H-2-benzofuran-1-one?
The canonical SMILES for 5-[(Z)-4-hydroxy-3-methylbut-2-enoxy]-7-methoxy-6-methyl-3H-2-benzofuran-1-one is COc1c(C)c(OC/C=C(/C)CO)cc2c1C(=O)OC2.
What is the InChIKey of 5-[(Z)-4-hydroxy-3-methylbut-2-enoxy]-7-methoxy-6-methyl-3H-2-benzofuran-1-one?
The InChIKey is AKQXDTZFGGTDHR-WTKPLQERSA-N. The full InChI is InChI=1S/C15H18O5/c1-9(7-16)4-5-19-12-6-11-8-20-15(17)13(11)14(18-3)10(12)2/h4,6,16H,5,7-8H2,1-3H3/b9-4-.
What are the key properties of 5-[(Z)-4-hydroxy-3-methylbut-2-enoxy]-7-methoxy-6-methyl-3H-2-benzofuran-1-one?
5-[(Z)-4-hydroxy-3-methylbut-2-enoxy]-7-methoxy-6-methyl-3H-2-benzofuran-1-one has a molecular weight of 278.30 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-4-hydroxy-3-methylbut-2-enoxy]-7-methoxy-6-methyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 139585080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).