(3'Z)-3'-[(4-hydroxyphenyl)methylidene]spiro[1,3-dihydroindene-2,2'-1H-indene]-5,5'-diol

C24H20O3 — CID 10269652

IUPAC(3'Z)-3'-[(4-hydroxyphenyl)methylidene]spiro[1,3-dihydroindene-2,2'-1H-indene]-5,5'-diol
SMILESOc1ccc(/C=C2\c3cc(O)ccc3CC23Cc2ccc(O)cc2C3)cc1
InChIInChI=1S/C24H20O3/c25-19-5-1-15(2-6-19)9-23-22-11-21(27)8-4-17(22)13-24(23)12-16-3-7-20(26)10-18(16)14-24/h1-11,25-27H,12-14H2/b23-9+
InChIKeyKAWLHRDKZZZJNQ-NUGSKGIGSA-N
MW356.42 g/mol
LogP4.69
Rot. Bonds1

About (3'Z)-3'-[(4-hydroxyphenyl)methylidene]spiro[1,3-dihydroindene-2,2'-1H-indene]-5,5'-diol

(3'Z)-3'-[(4-hydroxyphenyl)methylidene]spiro[1,3-dihydroindene-2,2'-1H-indene]-5,5'-diol (PubChem CID 10269652) has the molecular formula C24H20O3 and a molecular weight of 356.42 g/mol. Its IUPAC name is (3'Z)-3'-[(4-hydroxyphenyl)methylidene]spiro[1,3-dihydroindene-2,2'-1H-indene]-5,5'-diol.

Molecular Properties

Compound Name(3'Z)-3'-[(4-hydroxyphenyl)methylidene]spiro[1,3-dihydroindene-2,2'-1H-indene]-5,5'-diol
PubChem CID10269652
Molecular FormulaC24H20O3
Molecular Weight356.42 g/mol
Exact Mass356.14
IUPAC Name(3'Z)-3'-[(4-hydroxyphenyl)methylidene]spiro[1,3-dihydroindene-2,2'-1H-indene]-5,5'-diol
SMILESOc1ccc(/C=C2\c3cc(O)ccc3CC23Cc2ccc(O)cc2C3)cc1
InChIInChI=1S/C24H20O3/c25-19-5-1-15(2-6-19)9-23-22-11-21(27)8-4-17(22)13-24(23)12-16-3-7-20(26)10-18(16)14-24/h1-11,25-27H,12-14H2/b23-9+
InChIKeyKAWLHRDKZZZJNQ-NUGSKGIGSA-N
XLogP4.69
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3'Z)-3'-[(4-hydroxyphenyl)methylidene]spiro[1,3-dihydroindene-2,2'-1H-indene]-5,5'-diol?
The IUPAC name of (3'Z)-3'-[(4-hydroxyphenyl)methylidene]spiro[1,3-dihydroindene-2,2'-1H-indene]-5,5'-diol (CID 10269652) is (3'Z)-3'-[(4-hydroxyphenyl)methylidene]spiro[1,3-dihydroindene-2,2'-1H-indene]-5,5'-diol.
What is the SMILES notation for (3'Z)-3'-[(4-hydroxyphenyl)methylidene]spiro[1,3-dihydroindene-2,2'-1H-indene]-5,5'-diol?
The canonical SMILES for (3'Z)-3'-[(4-hydroxyphenyl)methylidene]spiro[1,3-dihydroindene-2,2'-1H-indene]-5,5'-diol is Oc1ccc(/C=C2\c3cc(O)ccc3CC23Cc2ccc(O)cc2C3)cc1.
What is the InChIKey of (3'Z)-3'-[(4-hydroxyphenyl)methylidene]spiro[1,3-dihydroindene-2,2'-1H-indene]-5,5'-diol?
The InChIKey is KAWLHRDKZZZJNQ-NUGSKGIGSA-N. The full InChI is InChI=1S/C24H20O3/c25-19-5-1-15(2-6-19)9-23-22-11-21(27)8-4-17(22)13-24(23)12-16-3-7-20(26)10-18(16)14-24/h1-11,25-27H,12-14H2/b23-9+.
What are the key properties of (3'Z)-3'-[(4-hydroxyphenyl)methylidene]spiro[1,3-dihydroindene-2,2'-1H-indene]-5,5'-diol?
(3'Z)-3'-[(4-hydroxyphenyl)methylidene]spiro[1,3-dihydroindene-2,2'-1H-indene]-5,5'-diol has a molecular weight of 356.42 g/mol, XLogP of 4.69, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3'Z)-3'-[(4-hydroxyphenyl)methylidene]spiro[1,3-dihydroindene-2,2'-1H-indene]-5,5'-diol is sourced from PubChem (CID 10269652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).