3'-ethylidene-1'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-ol

C20H20O — CID 142663531

IUPAC3'-ethylidene-1'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-ol
SMILESCC=C1c2ccccc2C(C)(O)C12Cc1ccccc1C2
InChIInChI=1S/C20H20O/c1-3-17-16-10-6-7-11-18(16)19(2,21)20(17)12-14-8-4-5-9-15(14)13-20/h3-11,21H,12-13H2,1-2H3
InChIKeyUMDBVRPYGZGOTQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.10
Rot. Bonds

About 3'-ethylidene-1'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-ol

3'-ethylidene-1'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-ol (PubChem CID 142663531) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3'-ethylidene-1'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-ol.

Molecular Properties

Compound Name3'-ethylidene-1'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-ol
PubChem CID142663531
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name3'-ethylidene-1'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-ol
SMILESCC=C1c2ccccc2C(C)(O)C12Cc1ccccc1C2
InChIInChI=1S/C20H20O/c1-3-17-16-10-6-7-11-18(16)19(2,21)20(17)12-14-8-4-5-9-15(14)13-20/h3-11,21H,12-13H2,1-2H3
InChIKeyUMDBVRPYGZGOTQ-UHFFFAOYSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3'-ethylidene-1'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-ol?
The IUPAC name of 3'-ethylidene-1'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-ol (CID 142663531) is 3'-ethylidene-1'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-ol.
What is the SMILES notation for 3'-ethylidene-1'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-ol?
The canonical SMILES for 3'-ethylidene-1'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-ol is CC=C1c2ccccc2C(C)(O)C12Cc1ccccc1C2.
What is the InChIKey of 3'-ethylidene-1'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-ol?
The InChIKey is UMDBVRPYGZGOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-3-17-16-10-6-7-11-18(16)19(2,21)20(17)12-14-8-4-5-9-15(14)13-20/h3-11,21H,12-13H2,1-2H3.
What are the key properties of 3'-ethylidene-1'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-ol?
3'-ethylidene-1'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-ol has a molecular weight of 276.38 g/mol, XLogP of 4.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-ethylidene-1'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-ol is sourced from PubChem (CID 142663531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).