(2Z)-2-[(4-chlorophenyl)methylidene]spiro[6H-furo[3,2-g]chromene-7,1'-cyclohexane]-3,5-dione

C23H19ClO4 — CID 134612596

IUPAC(2Z)-2-[(4-chlorophenyl)methylidene]spiro[6H-furo[3,2-g]chromene-7,1'-cyclohexane]-3,5-dione
SMILESO=C1CC2(CCCCC2)Oc2cc3c(cc21)C(=O)/C(=C/c1ccc(Cl)cc1)O3
InChIInChI=1S/C23H19ClO4/c24-15-6-4-14(5-7-15)10-21-22(26)17-11-16-18(25)13-23(8-2-1-3-9-23)28-20(16)12-19(17)27-21/h4-7,10-12H,1-3,8-9,13H2/b21-10-
InChIKeyZWGUSFGUWYPKRA-FBHDLOMBSA-N
MW394.85 g/mol
LogP5.62
Rot. Bonds1

About (2Z)-2-[(4-chlorophenyl)methylidene]spiro[6H-furo[3,2-g]chromene-7,1'-cyclohexane]-3,5-dione

(2Z)-2-[(4-chlorophenyl)methylidene]spiro[6H-furo[3,2-g]chromene-7,1'-cyclohexane]-3,5-dione (PubChem CID 134612596) has the molecular formula C23H19ClO4 and a molecular weight of 394.85 g/mol. Its IUPAC name is (2Z)-2-[(4-chlorophenyl)methylidene]spiro[6H-furo[3,2-g]chromene-7,1'-cyclohexane]-3,5-dione.

Molecular Properties

Compound Name(2Z)-2-[(4-chlorophenyl)methylidene]spiro[6H-furo[3,2-g]chromene-7,1'-cyclohexane]-3,5-dione
PubChem CID134612596
Molecular FormulaC23H19ClO4
Molecular Weight394.85 g/mol
Exact Mass394.10
IUPAC Name(2Z)-2-[(4-chlorophenyl)methylidene]spiro[6H-furo[3,2-g]chromene-7,1'-cyclohexane]-3,5-dione
SMILESO=C1CC2(CCCCC2)Oc2cc3c(cc21)C(=O)/C(=C/c1ccc(Cl)cc1)O3
InChIInChI=1S/C23H19ClO4/c24-15-6-4-14(5-7-15)10-21-22(26)17-11-16-18(25)13-23(8-2-1-3-9-23)28-20(16)12-19(17)27-21/h4-7,10-12H,1-3,8-9,13H2/b21-10-
InChIKeyZWGUSFGUWYPKRA-FBHDLOMBSA-N
XLogP5.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.85
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-chlorophenyl)methylidene]spiro[6H-furo[3,2-g]chromene-7,1'-cyclohexane]-3,5-dione?
The IUPAC name of (2Z)-2-[(4-chlorophenyl)methylidene]spiro[6H-furo[3,2-g]chromene-7,1'-cyclohexane]-3,5-dione (CID 134612596) is (2Z)-2-[(4-chlorophenyl)methylidene]spiro[6H-furo[3,2-g]chromene-7,1'-cyclohexane]-3,5-dione.
What is the SMILES notation for (2Z)-2-[(4-chlorophenyl)methylidene]spiro[6H-furo[3,2-g]chromene-7,1'-cyclohexane]-3,5-dione?
The canonical SMILES for (2Z)-2-[(4-chlorophenyl)methylidene]spiro[6H-furo[3,2-g]chromene-7,1'-cyclohexane]-3,5-dione is O=C1CC2(CCCCC2)Oc2cc3c(cc21)C(=O)/C(=C/c1ccc(Cl)cc1)O3.
What is the InChIKey of (2Z)-2-[(4-chlorophenyl)methylidene]spiro[6H-furo[3,2-g]chromene-7,1'-cyclohexane]-3,5-dione?
The InChIKey is ZWGUSFGUWYPKRA-FBHDLOMBSA-N. The full InChI is InChI=1S/C23H19ClO4/c24-15-6-4-14(5-7-15)10-21-22(26)17-11-16-18(25)13-23(8-2-1-3-9-23)28-20(16)12-19(17)27-21/h4-7,10-12H,1-3,8-9,13H2/b21-10-.
What are the key properties of (2Z)-2-[(4-chlorophenyl)methylidene]spiro[6H-furo[3,2-g]chromene-7,1'-cyclohexane]-3,5-dione?
(2Z)-2-[(4-chlorophenyl)methylidene]spiro[6H-furo[3,2-g]chromene-7,1'-cyclohexane]-3,5-dione has a molecular weight of 394.85 g/mol, XLogP of 5.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-chlorophenyl)methylidene]spiro[6H-furo[3,2-g]chromene-7,1'-cyclohexane]-3,5-dione is sourced from PubChem (CID 134612596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).