(3R)-7-methyl-7'-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol

C24H22O2 — CID 134955933

IUPAC(3R)-7-methyl-7'-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
SMILESCc1ccc(O)c2c1CC[C@@]21CCc2c(-c3ccccc3)ccc(O)c21
InChIInChI=1S/C24H22O2/c1-15-7-9-20(25)22-17(15)11-13-24(22)14-12-19-18(8-10-21(26)23(19)24)16-5-3-2-4-6-16/h2-10,25-26H,11-14H2,1H3/t24-/m1/s1
InChIKeyYZTRXBPKHKZAFB-XMMPIXPASA-N
MW342.44 g/mol
LogP5.25
Rot. Bonds1

About (3R)-7-methyl-7'-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol

(3R)-7-methyl-7'-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol (PubChem CID 134955933) has the molecular formula C24H22O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (3R)-7-methyl-7'-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol.

Molecular Properties

Compound Name(3R)-7-methyl-7'-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
PubChem CID134955933
Molecular FormulaC24H22O2
Molecular Weight342.44 g/mol
Exact Mass342.16
IUPAC Name(3R)-7-methyl-7'-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
SMILESCc1ccc(O)c2c1CC[C@@]21CCc2c(-c3ccccc3)ccc(O)c21
InChIInChI=1S/C24H22O2/c1-15-7-9-20(25)22-17(15)11-13-24(22)14-12-19-18(8-10-21(26)23(19)24)16-5-3-2-4-6-16/h2-10,25-26H,11-14H2,1H3/t24-/m1/s1
InChIKeyYZTRXBPKHKZAFB-XMMPIXPASA-N
XLogP5.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,5'-diphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
CID 50917365
3-methyl-6-phenylbenzene-1,2-diol;bis(3-phenylbenzene-1,2-diol)
CID 67932172
2,3-dimethyl-4-phenylphenol
CID 57091246
5,5'-bis(3,5-diphenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol
CID 146013151
(4'-acetyloxy-7,7'-dimethyl-3,3'-spirobi[1,2-dihydroindene]-4-yl) acetate
CID 58636069
2-methyl-6-phenylphenol
CID 12592481
2-fluoro-6-methyl-3-phenylphenol
CID 66800848
1-methyl-4,8-diphenylazulene
CID 86056773
4-(4-hydroxy-3-phenylphenyl)-2-methylphenol
CID 139534984
3-methoxy-2-methyl-4-phenylphenol
CID 45097393
2-benzyl-7-methyl-4-phenyl-1H-indene
CID 87188010
3-methyl-6-phenylbenzene-1,2-diamine;3-phenylbenzene-1,2-diamine
CID 67882576

Frequently Asked Questions

What is the IUPAC name of (3R)-7-methyl-7'-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol?
The IUPAC name of (3R)-7-methyl-7'-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol (CID 134955933) is (3R)-7-methyl-7'-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol.
What is the SMILES notation for (3R)-7-methyl-7'-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol?
The canonical SMILES for (3R)-7-methyl-7'-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol is Cc1ccc(O)c2c1CC[C@@]21CCc2c(-c3ccccc3)ccc(O)c21.
What is the InChIKey of (3R)-7-methyl-7'-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol?
The InChIKey is YZTRXBPKHKZAFB-XMMPIXPASA-N. The full InChI is InChI=1S/C24H22O2/c1-15-7-9-20(25)22-17(15)11-13-24(22)14-12-19-18(8-10-21(26)23(19)24)16-5-3-2-4-6-16/h2-10,25-26H,11-14H2,1H3/t24-/m1/s1.
What are the key properties of (3R)-7-methyl-7'-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol?
(3R)-7-methyl-7'-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol has a molecular weight of 342.44 g/mol, XLogP of 5.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-methyl-7'-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diol is sourced from PubChem (CID 134955933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).