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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Launch Full Analysis

Related Compounds

4-methoxy-9-[3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]furo[3,2-g]chromen-7-one
CID 162921781
7-[(Z)-3-methyl-4-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]but-2-enoxy]chromen-2-one
CID 92529317
[3-hydroxy-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] acetate
CID 90474884
9-[[(2R,3S)-3-methyl-3-[[(2S)-4-methyl-5-oxo-2H-furan-2-yl]methyl]oxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one
CID 26123114
9-[(Z)-3-methyl-4-(3-methyl-4-oxocyclopent-2-en-1-yl)but-2-enoxy]-8H-cyclopenta[g]chromen-2-one
CID 155216975
(2R,3R)-7-hydroxy-2,3-dimethyl-2-[(E)-4-methyl-5-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3H-furo[3,2-c]chromen-4-one
CID 162956190
(2R,3S)-7-hydroxy-2,3-dimethyl-2-[(E)-4-methyl-5-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pent-3-enyl]-3H-furo[3,2-c]chromen-4-one
CID 162956192
9-prop-2-enoxyfuro[3,2-g]chromen-7-one
CID 12772891
5,7-dimethoxy-8-(3-methylbut-2-enoxy)chromen-4-one
CID 162939847
(2R)-4,4,7'-trimethyl-5-[(E)-3-methyl-5-(7-methylidenefuro[3,2-g]chromen-4-yl)oxypent-3-enyl]spiro[1,3-dioxolane-2,2'-chromene]
CID 143436878
[(3R,6E,10E)-2-hydroxy-2,6,10-trimethyl-12-(2-methylidenechromen-7-yl)oxydodeca-6,10-dien-3-yl] acetate
CID 58388328
9-(3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one
CID 88593145

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).