(4'S)-6'-chlorospiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-ol

C17H15ClO2 — CID 104948911

IUPAC(4'S)-6'-chlorospiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-ol
SMILESO[C@H]1CC2(Cc3ccccc3C2)Oc2ccc(Cl)cc21
InChIInChI=1S/C17H15ClO2/c18-13-5-6-16-14(7-13)15(19)10-17(20-16)8-11-3-1-2-4-12(11)9-17/h1-7,15,19H,8-10H2/t15-/m0/s1
InChIKeyLMTAMJINBCPHTG-HNNXBMFYSA-N
MW286.76 g/mol
LogP3.69
Rot. Bonds

About (4'S)-6'-chlorospiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-ol

(4'S)-6'-chlorospiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-ol (PubChem CID 104948911) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is (4'S)-6'-chlorospiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-ol.

Molecular Properties

Compound Name(4'S)-6'-chlorospiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-ol
PubChem CID104948911
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Name(4'S)-6'-chlorospiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-ol
SMILESO[C@H]1CC2(Cc3ccccc3C2)Oc2ccc(Cl)cc21
InChIInChI=1S/C17H15ClO2/c18-13-5-6-16-14(7-13)15(19)10-17(20-16)8-11-3-1-2-4-12(11)9-17/h1-7,15,19H,8-10H2/t15-/m0/s1
InChIKeyLMTAMJINBCPHTG-HNNXBMFYSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4'S)-6'-chlorospiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-ol?
The IUPAC name of (4'S)-6'-chlorospiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-ol (CID 104948911) is (4'S)-6'-chlorospiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-ol.
What is the SMILES notation for (4'S)-6'-chlorospiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-ol?
The canonical SMILES for (4'S)-6'-chlorospiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-ol is O[C@H]1CC2(Cc3ccccc3C2)Oc2ccc(Cl)cc21.
What is the InChIKey of (4'S)-6'-chlorospiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-ol?
The InChIKey is LMTAMJINBCPHTG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15ClO2/c18-13-5-6-16-14(7-13)15(19)10-17(20-16)8-11-3-1-2-4-12(11)9-17/h1-7,15,19H,8-10H2/t15-/m0/s1.
What are the key properties of (4'S)-6'-chlorospiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-ol?
(4'S)-6'-chlorospiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-ol has a molecular weight of 286.76 g/mol, XLogP of 3.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4'S)-6'-chlorospiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-ol is sourced from PubChem (CID 104948911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).