(1S,2S,3S)-3-(4-hydroxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol

C24H24O2 — CID 102057745

IUPAC(1S,2S,3S)-3-(4-hydroxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol
SMILESCc1cc2c(c(C)c1O)[C@H](c1ccc(O)cc1)[C@@H](C)[C@H]2c1ccccc1
InChIInChI=1S/C24H24O2/c1-14-13-20-21(17-7-5-4-6-8-17)15(2)22(23(20)16(3)24(14)26)18-9-11-19(25)12-10-18/h4-13,15,21-22,25-26H,1-3H3/t15-,21-,22-/m0/s1
InChIKeyBPWUBYDCOCOAFI-RXYZOABWSA-N
MW344.45 g/mol
LogP5.63
Rot. Bonds2

About (1S,2S,3S)-3-(4-hydroxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol

(1S,2S,3S)-3-(4-hydroxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol (PubChem CID 102057745) has the molecular formula C24H24O2 and a molecular weight of 344.45 g/mol. Its IUPAC name is (1S,2S,3S)-3-(4-hydroxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name(1S,2S,3S)-3-(4-hydroxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol
PubChem CID102057745
Molecular FormulaC24H24O2
Molecular Weight344.45 g/mol
Exact Mass344.18
IUPAC Name(1S,2S,3S)-3-(4-hydroxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol
SMILESCc1cc2c(c(C)c1O)[C@H](c1ccc(O)cc1)[C@@H](C)[C@H]2c1ccccc1
InChIInChI=1S/C24H24O2/c1-14-13-20-21(17-7-5-4-6-8-17)15(2)22(23(20)16(3)24(14)26)18-9-11-19(25)12-10-18/h4-13,15,21-22,25-26H,1-3H3/t15-,21-,22-/m0/s1
InChIKeyBPWUBYDCOCOAFI-RXYZOABWSA-N
XLogP5.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S)-3-(4-hydroxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of (1S,2S,3S)-3-(4-hydroxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol (CID 102057745) is (1S,2S,3S)-3-(4-hydroxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for (1S,2S,3S)-3-(4-hydroxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for (1S,2S,3S)-3-(4-hydroxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol is Cc1cc2c(c(C)c1O)[C@H](c1ccc(O)cc1)[C@@H](C)[C@H]2c1ccccc1.
What is the InChIKey of (1S,2S,3S)-3-(4-hydroxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol?
The InChIKey is BPWUBYDCOCOAFI-RXYZOABWSA-N. The full InChI is InChI=1S/C24H24O2/c1-14-13-20-21(17-7-5-4-6-8-17)15(2)22(23(20)16(3)24(14)26)18-9-11-19(25)12-10-18/h4-13,15,21-22,25-26H,1-3H3/t15-,21-,22-/m0/s1.
What are the key properties of (1S,2S,3S)-3-(4-hydroxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol?
(1S,2S,3S)-3-(4-hydroxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol has a molecular weight of 344.45 g/mol, XLogP of 5.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S)-3-(4-hydroxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 102057745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).