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

C25H26O3 — CID 102057746

IUPAC(1S,2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol
SMILESCOc1cc([C@H]2c3c(cc(C)c(O)c3C)[C@H](c3ccccc3)[C@@H]2C)ccc1O
InChIInChI=1S/C25H26O3/c1-14-12-19-22(17-8-6-5-7-9-17)15(2)23(24(19)16(3)25(14)27)18-10-11-20(26)21(13-18)28-4/h5-13,15,22-23,26-27H,1-4H3/t15-,22-,23-/m0/s1
InChIKeyNQAXLISFHCKVIP-MPMWTEJESA-N
MW374.48 g/mol
LogP5.64
Rot. Bonds3

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

(1S,2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol (PubChem CID 102057746) has the molecular formula C25H26O3 and a molecular weight of 374.48 g/mol. Its IUPAC name is (1S,2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name(1S,2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol
PubChem CID102057746
Molecular FormulaC25H26O3
Molecular Weight374.48 g/mol
Exact Mass374.19
IUPAC Name(1S,2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol
SMILESCOc1cc([C@H]2c3c(cc(C)c(O)c3C)[C@H](c3ccccc3)[C@@H]2C)ccc1O
InChIInChI=1S/C25H26O3/c1-14-12-19-22(17-8-6-5-7-9-17)15(2)23(24(19)16(3)25(14)27)18-10-11-20(26)21(13-18)28-4/h5-13,15,22-23,26-27H,1-4H3/t15-,22-,23-/m0/s1
InChIKeyNQAXLISFHCKVIP-MPMWTEJESA-N
XLogP5.64
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of (1S,2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol (CID 102057746) is (1S,2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for (1S,2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for (1S,2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol is COc1cc([C@H]2c3c(cc(C)c(O)c3C)[C@H](c3ccccc3)[C@@H]2C)ccc1O.
What is the InChIKey of (1S,2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol?
The InChIKey is NQAXLISFHCKVIP-MPMWTEJESA-N. The full InChI is InChI=1S/C25H26O3/c1-14-12-19-22(17-8-6-5-7-9-17)15(2)23(24(19)16(3)25(14)27)18-10-11-20(26)21(13-18)28-4/h5-13,15,22-23,26-27H,1-4H3/t15-,22-,23-/m0/s1.
What are the key properties of (1S,2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol?
(1S,2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol has a molecular weight of 374.48 g/mol, XLogP of 5.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2,4,6-trimethyl-1-phenyl-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 102057746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).