(2R,3S)-3-(2-methyl-1H-indol-3-yl)-3-phenylpropane-1,2-diol

C18H19NO2 — CID 102355251

IUPAC(2R,3S)-3-(2-methyl-1H-indol-3-yl)-3-phenylpropane-1,2-diol
SMILESCc1[nH]c2ccccc2c1[C@H](c1ccccc1)[C@@H](O)CO
InChIInChI=1S/C18H19NO2/c1-12-17(14-9-5-6-10-15(14)19-12)18(16(21)11-20)13-7-3-2-4-8-13/h2-10,16,18-21H,11H2,1H3/t16-,18+/m0/s1
InChIKeyPWEFIPJOGOJDRR-FUHWJXTLSA-N
MW281.36 g/mol
LogP2.96
Rot. Bonds4

About (2R,3S)-3-(2-methyl-1H-indol-3-yl)-3-phenylpropane-1,2-diol

(2R,3S)-3-(2-methyl-1H-indol-3-yl)-3-phenylpropane-1,2-diol (PubChem CID 102355251) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2R,3S)-3-(2-methyl-1H-indol-3-yl)-3-phenylpropane-1,2-diol.

Molecular Properties

Compound Name(2R,3S)-3-(2-methyl-1H-indol-3-yl)-3-phenylpropane-1,2-diol
PubChem CID102355251
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(2R,3S)-3-(2-methyl-1H-indol-3-yl)-3-phenylpropane-1,2-diol
SMILESCc1[nH]c2ccccc2c1[C@H](c1ccccc1)[C@@H](O)CO
InChIInChI=1S/C18H19NO2/c1-12-17(14-9-5-6-10-15(14)19-12)18(16(21)11-20)13-7-3-2-4-8-13/h2-10,16,18-21H,11H2,1H3/t16-,18+/m0/s1
InChIKeyPWEFIPJOGOJDRR-FUHWJXTLSA-N
XLogP2.96
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-(2-methyl-1H-indol-3-yl)propane-1,2,3-triol
CID 170819227
(2R)-3-methyl-2-[(S)-(2-methyl-1H-indol-3-yl)-phenylmethyl]butanal
CID 135007045
(4R)-4-(2-methyl-1H-indol-3-yl)-4-phenylbutan-2-one
CID 101252963
1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol
CID 116830002
(3R)-3-(2-methyl-1H-indol-3-yl)-1,3-diphenylpropan-1-one
CID 101252964
1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol
CID 116859564
2-methyl-3-[(2-methyl-1H-indol-3-yl)-naphthalen-1-ylmethyl]-1H-indole
CID 2849002
4-amino-4-(2-methyl-1H-indol-3-yl)butan-1-ol
CID 116861434
3-(dimethylamino)-3-(2-methyl-1H-indol-3-yl)propan-1-ol
CID 116907669
2-[(3-chlorophenyl)-(2-methyl-1H-indol-3-yl)methyl]propanedinitrile
CID 53243435
(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811
2-methoxy-2-(2-methyl-1H-indol-3-yl)acetic acid
CID 70231951

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(2-methyl-1H-indol-3-yl)-3-phenylpropane-1,2-diol?
The IUPAC name of (2R,3S)-3-(2-methyl-1H-indol-3-yl)-3-phenylpropane-1,2-diol (CID 102355251) is (2R,3S)-3-(2-methyl-1H-indol-3-yl)-3-phenylpropane-1,2-diol.
What is the SMILES notation for (2R,3S)-3-(2-methyl-1H-indol-3-yl)-3-phenylpropane-1,2-diol?
The canonical SMILES for (2R,3S)-3-(2-methyl-1H-indol-3-yl)-3-phenylpropane-1,2-diol is Cc1[nH]c2ccccc2c1[C@H](c1ccccc1)[C@@H](O)CO.
What is the InChIKey of (2R,3S)-3-(2-methyl-1H-indol-3-yl)-3-phenylpropane-1,2-diol?
The InChIKey is PWEFIPJOGOJDRR-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12-17(14-9-5-6-10-15(14)19-12)18(16(21)11-20)13-7-3-2-4-8-13/h2-10,16,18-21H,11H2,1H3/t16-,18+/m0/s1.
What are the key properties of (2R,3S)-3-(2-methyl-1H-indol-3-yl)-3-phenylpropane-1,2-diol?
(2R,3S)-3-(2-methyl-1H-indol-3-yl)-3-phenylpropane-1,2-diol has a molecular weight of 281.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(2-methyl-1H-indol-3-yl)-3-phenylpropane-1,2-diol is sourced from PubChem (CID 102355251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).