(9S)-9-(3-methoxy-4-propan-2-yloxyphenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C24H24O6 — CID 99993827

IUPAC(9S)-9-(3-methoxy-4-propan-2-yloxyphenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1cc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)ccc1OC(C)C
InChIInChI=1S/C24H24O6/c1-12(2)23-22(26)15-7-9-18-21(24(15)30-23)16(11-20(25)29-18)14-6-8-17(28-13(3)4)19(10-14)27-5/h6-10,13,16H,11H2,1-5H3/t16-/m0/s1
InChIKeyLQRAGXAIDAPBDL-INIZCTEOSA-N
MW408.45 g/mol
LogP4.79
Rot. Bonds4

About (9S)-9-(3-methoxy-4-propan-2-yloxyphenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

(9S)-9-(3-methoxy-4-propan-2-yloxyphenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 99993827) has the molecular formula C24H24O6 and a molecular weight of 408.45 g/mol. Its IUPAC name is (9S)-9-(3-methoxy-4-propan-2-yloxyphenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name(9S)-9-(3-methoxy-4-propan-2-yloxyphenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID99993827
Molecular FormulaC24H24O6
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC Name(9S)-9-(3-methoxy-4-propan-2-yloxyphenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESCOc1cc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)ccc1OC(C)C
InChIInChI=1S/C24H24O6/c1-12(2)23-22(26)15-7-9-18-21(24(15)30-23)16(11-20(25)29-18)14-6-8-17(28-13(3)4)19(10-14)27-5/h6-10,13,16H,11H2,1-5H3/t16-/m0/s1
InChIKeyLQRAGXAIDAPBDL-INIZCTEOSA-N
XLogP4.79
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(9R)-9-(3-methoxy-4-propan-2-yloxyphenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99993831
(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
(9S)-9-(4-hydroxy-3,5-dimethoxyphenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99986881
2-[5-[(9R)-3,7-dioxo-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromen-9-yl]-2-methoxyphenoxy]acetamide
CID 99996864
(2Z,9R)-2-[(4-methoxyphenyl)methylidene]-9-(3-methoxy-4-propan-2-yloxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99995987
(9S)-9-phenyl-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99991705
(9R)-9-phenyl-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99991709
(2Z,9S)-9-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124879691
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
(9R)-2-propan-2-ylidene-9-(2-propan-2-ylpyrazol-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99994306
(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(3-hydroxy-4-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 127252728

Frequently Asked Questions

What is the IUPAC name of (9S)-9-(3-methoxy-4-propan-2-yloxyphenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of (9S)-9-(3-methoxy-4-propan-2-yloxyphenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 99993827) is (9S)-9-(3-methoxy-4-propan-2-yloxyphenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for (9S)-9-(3-methoxy-4-propan-2-yloxyphenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for (9S)-9-(3-methoxy-4-propan-2-yloxyphenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1cc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)ccc1OC(C)C.
What is the InChIKey of (9S)-9-(3-methoxy-4-propan-2-yloxyphenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is LQRAGXAIDAPBDL-INIZCTEOSA-N. The full InChI is InChI=1S/C24H24O6/c1-12(2)23-22(26)15-7-9-18-21(24(15)30-23)16(11-20(25)29-18)14-6-8-17(28-13(3)4)19(10-14)27-5/h6-10,13,16H,11H2,1-5H3/t16-/m0/s1.
What are the key properties of (9S)-9-(3-methoxy-4-propan-2-yloxyphenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
(9S)-9-(3-methoxy-4-propan-2-yloxyphenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 408.45 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-9-(3-methoxy-4-propan-2-yloxyphenyl)-2-propan-2-ylidene-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 99993827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).