(9R)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C25H24O6 — CID 99988448

IUPAC(9R)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESC=C(C)COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)cc1OC
InChIInChI=1S/C25H24O6/c1-13(2)12-29-18-8-6-15(10-20(18)28-5)17-11-21(26)30-19-9-7-16-23(27)24(14(3)4)31-25(16)22(17)19/h6-10,17H,1,11-12H2,2-5H3/t17-/m1/s1
InChIKeyLGQNNQVLXXVVTA-QGZVFWFLSA-N
MW420.46 g/mol
LogP4.96
Rot. Bonds5

About (9R)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

(9R)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 99988448) has the molecular formula C25H24O6 and a molecular weight of 420.46 g/mol. Its IUPAC name is (9R)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name(9R)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID99988448
Molecular FormulaC25H24O6
Molecular Weight420.46 g/mol
Exact Mass420.16
IUPAC Name(9R)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESC=C(C)COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)cc1OC
InChIInChI=1S/C25H24O6/c1-13(2)12-29-18-8-6-15(10-20(18)28-5)17-11-21(26)30-19-9-7-16-23(27)24(14(3)4)31-25(16)22(17)19/h6-10,17H,1,11-12H2,2-5H3/t17-/m1/s1
InChIKeyLGQNNQVLXXVVTA-QGZVFWFLSA-N
XLogP4.96
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-[5-[(9R)-3,7-dioxo-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromen-9-yl]-2-methoxyphenoxy]acetamide
CID 99996864
(9R)-9-(3-methoxy-4-propan-2-yloxyphenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99993831
(9S)-9-(3-methoxy-4-propan-2-yloxyphenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99993827
9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163069735
(2Z,9S)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99991445
(9S)-9-(4-hydroxy-3,5-dimethoxyphenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99986881
4-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71754610
(9R)-9-phenyl-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99991709
(9S)-9-phenyl-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99991705
methyl 2-[2-methoxy-4-[(2Z,9S)-2-[(2-methoxyphenyl)methylidene]-3,7-dioxo-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenoxy]acetate
CID 126419069
9-(3-nitrophenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 86207609
(9S)-2-propan-2-ylidene-9-(3-pyrimidin-2-yloxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99984633

Frequently Asked Questions

What is the IUPAC name of (9R)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of (9R)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 99988448) is (9R)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for (9R)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for (9R)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is C=C(C)COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)cc1OC.
What is the InChIKey of (9R)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is LGQNNQVLXXVVTA-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H24O6/c1-13(2)12-29-18-8-6-15(10-20(18)28-5)17-11-21(26)30-19-9-7-16-23(27)24(14(3)4)31-25(16)22(17)19/h6-10,17H,1,11-12H2,2-5H3/t17-/m1/s1.
What are the key properties of (9R)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
(9R)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 420.46 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 99988448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).