(3R)-3-(7-methyl-1H-indol-3-yl)-1-phenyl-4-phenylmethoxybutan-1-one

C26H25NO2 — CID 71612855

IUPAC(3R)-3-(7-methyl-1H-indol-3-yl)-1-phenyl-4-phenylmethoxybutan-1-one
SMILESCc1cccc2c([C@H](COCc3ccccc3)CC(=O)c3ccccc3)c[nH]c12
InChIInChI=1S/C26H25NO2/c1-19-9-8-14-23-24(16-27-26(19)23)22(15-25(28)21-12-6-3-7-13-21)18-29-17-20-10-4-2-5-11-20/h2-14,16,22,27H,15,17-18H2,1H3/t22-/m0/s1
InChIKeyIMFQMCSBAXIDOX-QFIPXVFZSA-N
MW383.49 g/mol
LogP6.05
Rot. Bonds8

About (3R)-3-(7-methyl-1H-indol-3-yl)-1-phenyl-4-phenylmethoxybutan-1-one

(3R)-3-(7-methyl-1H-indol-3-yl)-1-phenyl-4-phenylmethoxybutan-1-one (PubChem CID 71612855) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is (3R)-3-(7-methyl-1H-indol-3-yl)-1-phenyl-4-phenylmethoxybutan-1-one.

Molecular Properties

Compound Name(3R)-3-(7-methyl-1H-indol-3-yl)-1-phenyl-4-phenylmethoxybutan-1-one
PubChem CID71612855
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name(3R)-3-(7-methyl-1H-indol-3-yl)-1-phenyl-4-phenylmethoxybutan-1-one
SMILESCc1cccc2c([C@H](COCc3ccccc3)CC(=O)c3ccccc3)c[nH]c12
InChIInChI=1S/C26H25NO2/c1-19-9-8-14-23-24(16-27-26(19)23)22(15-25(28)21-12-6-3-7-13-21)18-29-17-20-10-4-2-5-11-20/h2-14,16,22,27H,15,17-18H2,1H3/t22-/m0/s1
InChIKeyIMFQMCSBAXIDOX-QFIPXVFZSA-N
XLogP6.05
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(7-methyl-1H-indol-3-yl)pentanoic acid
CID 135375085
2-amino-3-(7-methyl-1H-indol-3-yl)hexanoic acid
CID 135374820
1-(1-chloro-3-phenylmethoxypropan-2-yl)-2-methylbenzene
CID 102940982
1-(1-bromo-3-phenylmethoxypropan-2-yl)-2-methylbenzene
CID 102940983
3-(7-ethyl-1H-indol-3-yl)-3-(3-phenylmethoxyphenyl)propanoic acid
CID 42774239
(2R)-2-methyl-1-phenyl-3-phenylmethoxypropan-1-one
CID 12630921
7-methyl-3-(2-phenylethyl)-1H-indole
CID 174735389
N-methyl-2-(2-methylphenyl)-3-phenylmethoxypropan-1-amine
CID 102940569
2-aminooxy-N-[1-(1H-indol-3-yl)-2-phenylmethoxyethyl]acetamide
CID 71065259
(3R)-1,3-diphenyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one
CID 50901902
4-[(Z)-5-phenylmethoxy-3-(phenylmethoxymethyl)pent-4-enoyl]benzoic acid
CID 11250190
methyl (2S)-2-benzamido-3-phenylmethoxypropanoate
CID 10870709

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(7-methyl-1H-indol-3-yl)-1-phenyl-4-phenylmethoxybutan-1-one?
The IUPAC name of (3R)-3-(7-methyl-1H-indol-3-yl)-1-phenyl-4-phenylmethoxybutan-1-one (CID 71612855) is (3R)-3-(7-methyl-1H-indol-3-yl)-1-phenyl-4-phenylmethoxybutan-1-one.
What is the SMILES notation for (3R)-3-(7-methyl-1H-indol-3-yl)-1-phenyl-4-phenylmethoxybutan-1-one?
The canonical SMILES for (3R)-3-(7-methyl-1H-indol-3-yl)-1-phenyl-4-phenylmethoxybutan-1-one is Cc1cccc2c([C@H](COCc3ccccc3)CC(=O)c3ccccc3)c[nH]c12.
What is the InChIKey of (3R)-3-(7-methyl-1H-indol-3-yl)-1-phenyl-4-phenylmethoxybutan-1-one?
The InChIKey is IMFQMCSBAXIDOX-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H25NO2/c1-19-9-8-14-23-24(16-27-26(19)23)22(15-25(28)21-12-6-3-7-13-21)18-29-17-20-10-4-2-5-11-20/h2-14,16,22,27H,15,17-18H2,1H3/t22-/m0/s1.
What are the key properties of (3R)-3-(7-methyl-1H-indol-3-yl)-1-phenyl-4-phenylmethoxybutan-1-one?
(3R)-3-(7-methyl-1H-indol-3-yl)-1-phenyl-4-phenylmethoxybutan-1-one has a molecular weight of 383.49 g/mol, XLogP of 6.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(7-methyl-1H-indol-3-yl)-1-phenyl-4-phenylmethoxybutan-1-one is sourced from PubChem (CID 71612855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).