(1S)-1-[2-[(1R)-4-hydroxy-1H-inden-1-yl]ethyl]-1H-inden-4-ol

C20H18O2 — CID 56975053

IUPAC(1S)-1-[2-[(1R)-4-hydroxy-1H-inden-1-yl]ethyl]-1H-inden-4-ol
SMILESOc1cccc2c1C=C[C@@H]2CC[C@@H]1C=Cc2c(O)cccc21
InChIInChI=1S/C20H18O2/c21-19-5-1-3-15-13(9-11-17(15)19)7-8-14-10-12-18-16(14)4-2-6-20(18)22/h1-6,9-14,21-22H,7-8H2/t13-,14+
InChIKeyXDYJGONZSJFWLO-OKILXGFUSA-N
MW290.36 g/mol
LogP4.80
Rot. Bonds3

About (1S)-1-[2-[(1R)-4-hydroxy-1H-inden-1-yl]ethyl]-1H-inden-4-ol

(1S)-1-[2-[(1R)-4-hydroxy-1H-inden-1-yl]ethyl]-1H-inden-4-ol (PubChem CID 56975053) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is (1S)-1-[2-[(1R)-4-hydroxy-1H-inden-1-yl]ethyl]-1H-inden-4-ol.

Molecular Properties

Compound Name(1S)-1-[2-[(1R)-4-hydroxy-1H-inden-1-yl]ethyl]-1H-inden-4-ol
PubChem CID56975053
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name(1S)-1-[2-[(1R)-4-hydroxy-1H-inden-1-yl]ethyl]-1H-inden-4-ol
SMILESOc1cccc2c1C=C[C@@H]2CC[C@@H]1C=Cc2c(O)cccc21
InChIInChI=1S/C20H18O2/c21-19-5-1-3-15-13(9-11-17(15)19)7-8-14-10-12-18-16(14)4-2-6-20(18)22/h1-6,9-14,21-22H,7-8H2/t13-,14+
InChIKeyXDYJGONZSJFWLO-OKILXGFUSA-N
XLogP4.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1,2-dihydronaphthalene-1,2,5-triol
CID 102427204
tert-butyl-[[1-[2-[4-[tert-butyl(dimethyl)silyl]oxy-1H-inden-1-yl]ethyl]-1H-inden-4-yl]oxy]-dimethylsilane
CID 23539509
2-(1H-inden-1-yl)ethanol
CID 23288751
1-[2-(1H-inden-1-yl)ethyl]-1H-indene;propane;zirconium
CID 162275229
CID 101470724
CID 101470724
1-[2-(4,7-dimethyl-1H-inden-1-yl)ethyl]-4,7-dimethyl-1H-indene
CID 11834008
(1R)-1-[2-[(1R)-4,7-dimethyl-1H-inden-1-yl]ethyl]-4,7-dimethyl-1H-indene
CID 100983352
dichloro-[2-(1H-inden-1-yl)ethyl]silane
CID 137328288
CID 101470723
CID 101470723
(1S)-4-bromo-1H-inden-1-ol
CID 175495734
3-(1H-inden-1-yl)propan-1-amine;hydrochloride
CID 141205215
1-butyl-1H-indene;zirconium
CID 175289141

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(1R)-4-hydroxy-1H-inden-1-yl]ethyl]-1H-inden-4-ol?
The IUPAC name of (1S)-1-[2-[(1R)-4-hydroxy-1H-inden-1-yl]ethyl]-1H-inden-4-ol (CID 56975053) is (1S)-1-[2-[(1R)-4-hydroxy-1H-inden-1-yl]ethyl]-1H-inden-4-ol.
What is the SMILES notation for (1S)-1-[2-[(1R)-4-hydroxy-1H-inden-1-yl]ethyl]-1H-inden-4-ol?
The canonical SMILES for (1S)-1-[2-[(1R)-4-hydroxy-1H-inden-1-yl]ethyl]-1H-inden-4-ol is Oc1cccc2c1C=C[C@@H]2CC[C@@H]1C=Cc2c(O)cccc21.
What is the InChIKey of (1S)-1-[2-[(1R)-4-hydroxy-1H-inden-1-yl]ethyl]-1H-inden-4-ol?
The InChIKey is XDYJGONZSJFWLO-OKILXGFUSA-N. The full InChI is InChI=1S/C20H18O2/c21-19-5-1-3-15-13(9-11-17(15)19)7-8-14-10-12-18-16(14)4-2-6-20(18)22/h1-6,9-14,21-22H,7-8H2/t13-,14+.
What are the key properties of (1S)-1-[2-[(1R)-4-hydroxy-1H-inden-1-yl]ethyl]-1H-inden-4-ol?
(1S)-1-[2-[(1R)-4-hydroxy-1H-inden-1-yl]ethyl]-1H-inden-4-ol has a molecular weight of 290.36 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(1R)-4-hydroxy-1H-inden-1-yl]ethyl]-1H-inden-4-ol is sourced from PubChem (CID 56975053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).