(3R)-3-(2-chlorophenyl)-3-(1H-indol-3-yl)propan-1-ol

C17H16ClNO — CID 45101575

IUPAC(3R)-3-(2-chlorophenyl)-3-(1H-indol-3-yl)propan-1-ol
SMILESOCC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C17H16ClNO/c18-16-7-3-1-5-13(16)12(9-10-20)15-11-19-17-8-4-2-6-14(15)17/h1-8,11-12,19-20H,9-10H2/t12-/m0/s1
InChIKeyZTDOFXYJXIFRMV-LBPRGKRZSA-N
MW285.77 g/mol
LogP4.34
Rot. Bonds4

About (3R)-3-(2-chlorophenyl)-3-(1H-indol-3-yl)propan-1-ol

(3R)-3-(2-chlorophenyl)-3-(1H-indol-3-yl)propan-1-ol (PubChem CID 45101575) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is (3R)-3-(2-chlorophenyl)-3-(1H-indol-3-yl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-(2-chlorophenyl)-3-(1H-indol-3-yl)propan-1-ol
PubChem CID45101575
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name(3R)-3-(2-chlorophenyl)-3-(1H-indol-3-yl)propan-1-ol
SMILESOCC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C17H16ClNO/c18-16-7-3-1-5-13(16)12(9-10-20)15-11-19-17-8-4-2-6-14(15)17/h1-8,11-12,19-20H,9-10H2/t12-/m0/s1
InChIKeyZTDOFXYJXIFRMV-LBPRGKRZSA-N
XLogP4.34
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-amino-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-hydroxybutanamide
CID 166324533
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 51155316
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]naphthalene-1-carboxamide
CID 154810722
(3R)-3-(1H-indol-3-yl)butan-1-ol
CID 93483686
(2S)-2-[[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide
CID 8645148
2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]propanamide
CID 18158757
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35126826
(2S)-2-acetamido-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methylbutanamide
CID 7910791
2-amino-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 120984721
2-chloro-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 55341798
1-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-oxopyridine-3-carboxylic acid
CID 110128888
[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium
CID 8645167

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-chlorophenyl)-3-(1H-indol-3-yl)propan-1-ol?
The IUPAC name of (3R)-3-(2-chlorophenyl)-3-(1H-indol-3-yl)propan-1-ol (CID 45101575) is (3R)-3-(2-chlorophenyl)-3-(1H-indol-3-yl)propan-1-ol.
What is the SMILES notation for (3R)-3-(2-chlorophenyl)-3-(1H-indol-3-yl)propan-1-ol?
The canonical SMILES for (3R)-3-(2-chlorophenyl)-3-(1H-indol-3-yl)propan-1-ol is OCC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12.
What is the InChIKey of (3R)-3-(2-chlorophenyl)-3-(1H-indol-3-yl)propan-1-ol?
The InChIKey is ZTDOFXYJXIFRMV-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16ClNO/c18-16-7-3-1-5-13(16)12(9-10-20)15-11-19-17-8-4-2-6-14(15)17/h1-8,11-12,19-20H,9-10H2/t12-/m0/s1.
What are the key properties of (3R)-3-(2-chlorophenyl)-3-(1H-indol-3-yl)propan-1-ol?
(3R)-3-(2-chlorophenyl)-3-(1H-indol-3-yl)propan-1-ol has a molecular weight of 285.77 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-chlorophenyl)-3-(1H-indol-3-yl)propan-1-ol is sourced from PubChem (CID 45101575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).