(1S,2S)-1-(2-hydroxyethylamino)-5-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-2-ol

C25H27NO3 — CID 146586205

IUPAC(1S,2S)-1-(2-hydroxyethylamino)-5-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-2-ol
SMILESCc1c(COc2ccc3c(c2)C[C@H](O)[C@H]3NCCO)cccc1-c1ccccc1
InChIInChI=1S/C25H27NO3/c1-17-19(8-5-9-22(17)18-6-3-2-4-7-18)16-29-21-10-11-23-20(14-21)15-24(28)25(23)26-12-13-27/h2-11,14,24-28H,12-13,15-16H2,1H3/t24-,25-/m0/s1
InChIKeyZZMMVULMHPSIOA-DQEYMECFSA-N
MW389.50 g/mol
LogP3.78
Rot. Bonds7

About (1S,2S)-1-(2-hydroxyethylamino)-5-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-2-ol

(1S,2S)-1-(2-hydroxyethylamino)-5-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-2-ol (PubChem CID 146586205) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is (1S,2S)-1-(2-hydroxyethylamino)-5-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-(2-hydroxyethylamino)-5-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-2-ol
PubChem CID146586205
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name(1S,2S)-1-(2-hydroxyethylamino)-5-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-2-ol
SMILESCc1c(COc2ccc3c(c2)C[C@H](O)[C@H]3NCCO)cccc1-c1ccccc1
InChIInChI=1S/C25H27NO3/c1-17-19(8-5-9-22(17)18-6-3-2-4-7-18)16-29-21-10-11-23-20(14-21)15-24(28)25(23)26-12-13-27/h2-11,14,24-28H,12-13,15-16H2,1H3/t24-,25-/m0/s1
InChIKeyZZMMVULMHPSIOA-DQEYMECFSA-N
XLogP3.78
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(2-hydroxyethylamino)-5-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1S,2S)-1-(2-hydroxyethylamino)-5-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-2-ol (CID 146586205) is (1S,2S)-1-(2-hydroxyethylamino)-5-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1S,2S)-1-(2-hydroxyethylamino)-5-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1S,2S)-1-(2-hydroxyethylamino)-5-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-2-ol is Cc1c(COc2ccc3c(c2)C[C@H](O)[C@H]3NCCO)cccc1-c1ccccc1.
What is the InChIKey of (1S,2S)-1-(2-hydroxyethylamino)-5-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is ZZMMVULMHPSIOA-DQEYMECFSA-N. The full InChI is InChI=1S/C25H27NO3/c1-17-19(8-5-9-22(17)18-6-3-2-4-7-18)16-29-21-10-11-23-20(14-21)15-24(28)25(23)26-12-13-27/h2-11,14,24-28H,12-13,15-16H2,1H3/t24-,25-/m0/s1.
What are the key properties of (1S,2S)-1-(2-hydroxyethylamino)-5-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-2-ol?
(1S,2S)-1-(2-hydroxyethylamino)-5-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 389.50 g/mol, XLogP of 3.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(2-hydroxyethylamino)-5-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 146586205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).