4-methyl-2-[(Z)-2-methyl-4-(7-methylidenefuro[3,2-g]chromen-9-yl)oxybut-2-enyl]-2H-furan-5-one

C22H20O5 — CID 160581120

IUPAC4-methyl-2-[(Z)-2-methyl-4-(7-methylidenefuro[3,2-g]chromen-9-yl)oxybut-2-enyl]-2H-furan-5-one
SMILESC=C1C=Cc2cc3ccoc3c(OC/C=C(/C)CC3C=C(C)C(=O)O3)c2O1
InChIInChI=1S/C22H20O5/c1-13(10-18-11-14(2)22(23)27-18)6-8-25-21-19-17(7-9-24-19)12-16-5-4-15(3)26-20(16)21/h4-7,9,11-12,18H,3,8,10H2,1-2H3/b13-6-
InChIKeyRBUHWRZPEYRYPU-MLPAPPSSSA-N
MW364.40 g/mol
LogP4.94
Rot. Bonds5

About 4-methyl-2-[(Z)-2-methyl-4-(7-methylidenefuro[3,2-g]chromen-9-yl)oxybut-2-enyl]-2H-furan-5-one

4-methyl-2-[(Z)-2-methyl-4-(7-methylidenefuro[3,2-g]chromen-9-yl)oxybut-2-enyl]-2H-furan-5-one (PubChem CID 160581120) has the molecular formula C22H20O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-methyl-2-[(Z)-2-methyl-4-(7-methylidenefuro[3,2-g]chromen-9-yl)oxybut-2-enyl]-2H-furan-5-one.

Molecular Properties

Compound Name4-methyl-2-[(Z)-2-methyl-4-(7-methylidenefuro[3,2-g]chromen-9-yl)oxybut-2-enyl]-2H-furan-5-one
PubChem CID160581120
Molecular FormulaC22H20O5
Molecular Weight364.40 g/mol
Exact Mass364.13
IUPAC Name4-methyl-2-[(Z)-2-methyl-4-(7-methylidenefuro[3,2-g]chromen-9-yl)oxybut-2-enyl]-2H-furan-5-one
SMILESC=C1C=Cc2cc3ccoc3c(OC/C=C(/C)CC3C=C(C)C(=O)O3)c2O1
InChIInChI=1S/C22H20O5/c1-13(10-18-11-14(2)22(23)27-18)6-8-25-21-19-17(7-9-24-19)12-16-5-4-15(3)26-20(16)21/h4-7,9,11-12,18H,3,8,10H2,1-2H3/b13-6-
InChIKeyRBUHWRZPEYRYPU-MLPAPPSSSA-N
XLogP4.94
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(Z)-2-methyl-4-(7-methylidenefuro[3,2-g]chromen-9-yl)oxybut-2-enyl]-2H-furan-5-one?
The IUPAC name of 4-methyl-2-[(Z)-2-methyl-4-(7-methylidenefuro[3,2-g]chromen-9-yl)oxybut-2-enyl]-2H-furan-5-one (CID 160581120) is 4-methyl-2-[(Z)-2-methyl-4-(7-methylidenefuro[3,2-g]chromen-9-yl)oxybut-2-enyl]-2H-furan-5-one.
What is the SMILES notation for 4-methyl-2-[(Z)-2-methyl-4-(7-methylidenefuro[3,2-g]chromen-9-yl)oxybut-2-enyl]-2H-furan-5-one?
The canonical SMILES for 4-methyl-2-[(Z)-2-methyl-4-(7-methylidenefuro[3,2-g]chromen-9-yl)oxybut-2-enyl]-2H-furan-5-one is C=C1C=Cc2cc3ccoc3c(OC/C=C(/C)CC3C=C(C)C(=O)O3)c2O1.
What is the InChIKey of 4-methyl-2-[(Z)-2-methyl-4-(7-methylidenefuro[3,2-g]chromen-9-yl)oxybut-2-enyl]-2H-furan-5-one?
The InChIKey is RBUHWRZPEYRYPU-MLPAPPSSSA-N. The full InChI is InChI=1S/C22H20O5/c1-13(10-18-11-14(2)22(23)27-18)6-8-25-21-19-17(7-9-24-19)12-16-5-4-15(3)26-20(16)21/h4-7,9,11-12,18H,3,8,10H2,1-2H3/b13-6-.
What are the key properties of 4-methyl-2-[(Z)-2-methyl-4-(7-methylidenefuro[3,2-g]chromen-9-yl)oxybut-2-enyl]-2H-furan-5-one?
4-methyl-2-[(Z)-2-methyl-4-(7-methylidenefuro[3,2-g]chromen-9-yl)oxybut-2-enyl]-2H-furan-5-one has a molecular weight of 364.40 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(Z)-2-methyl-4-(7-methylidenefuro[3,2-g]chromen-9-yl)oxybut-2-enyl]-2H-furan-5-one is sourced from PubChem (CID 160581120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).