2-[3-(1H-indol-4-yl)phenyl]-1-(2,2,5-trimethyl-1,3-dioxan-5-yl)ethanone

C23H25NO3 — CID 158378446

IUPAC2-[3-(1H-indol-4-yl)phenyl]-1-(2,2,5-trimethyl-1,3-dioxan-5-yl)ethanone
SMILESCC1(C)OCC(C)(C(=O)Cc2cccc(-c3cccc4[nH]ccc34)c2)CO1
InChIInChI=1S/C23H25NO3/c1-22(2)26-14-23(3,15-27-22)21(25)13-16-6-4-7-17(12-16)18-8-5-9-20-19(18)10-11-24-20/h4-12,24H,13-15H2,1-3H3
InChIKeyGVMJWFPBHIMOJT-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.74
Rot. Bonds4

About 2-[3-(1H-indol-4-yl)phenyl]-1-(2,2,5-trimethyl-1,3-dioxan-5-yl)ethanone

2-[3-(1H-indol-4-yl)phenyl]-1-(2,2,5-trimethyl-1,3-dioxan-5-yl)ethanone (PubChem CID 158378446) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[3-(1H-indol-4-yl)phenyl]-1-(2,2,5-trimethyl-1,3-dioxan-5-yl)ethanone.

Molecular Properties

Compound Name2-[3-(1H-indol-4-yl)phenyl]-1-(2,2,5-trimethyl-1,3-dioxan-5-yl)ethanone
PubChem CID158378446
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name2-[3-(1H-indol-4-yl)phenyl]-1-(2,2,5-trimethyl-1,3-dioxan-5-yl)ethanone
SMILESCC1(C)OCC(C)(C(=O)Cc2cccc(-c3cccc4[nH]ccc34)c2)CO1
InChIInChI=1S/C23H25NO3/c1-22(2)26-14-23(3,15-27-22)21(25)13-16-6-4-7-17(12-16)18-8-5-9-20-19(18)10-11-24-20/h4-12,24H,13-15H2,1-3H3
InChIKeyGVMJWFPBHIMOJT-UHFFFAOYSA-N
XLogP4.74
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1H-indol-4-yl)phenyl]phosphane
CID 142467454
ethane;4-(3-propan-2-ylphenyl)-1H-indole
CID 156726959
N-[3-(1H-indol-4-yl)phenyl]morpholine-4-carboxamide
CID 135372064
N-[3-bromo-5-(1H-indol-4-yl)phenyl]acetamide
CID 69193862
(3R)-3-hydroxy-3-[3-[3-(1H-indol-4-yl)phenyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
CID 175964542
ethyl 5-(1H-indol-4-yl)pyridine-3-carboxylate
CID 10491979
3-[3-[(1H-indol-4-ylmethylamino)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 59652629
6-[(4,4-dimethylpiperidin-1-yl)methyl]-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide
CID 44540140
2-[(3-chloro-2-hydroxypropyl)amino]-4-(1H-indol-4-yl)benzoic acid
CID 168637384
1-[3-(1H-indol-4-yl)benzoyl]piperidine-4-sulfonamide
CID 169415725
4-(4-methylsulfonylphenyl)-1H-indole
CID 50973001
N-[3-(3,4-difluorophenyl)-5-(1H-indol-4-yl)phenyl]acetamide
CID 25114655

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-indol-4-yl)phenyl]-1-(2,2,5-trimethyl-1,3-dioxan-5-yl)ethanone?
The IUPAC name of 2-[3-(1H-indol-4-yl)phenyl]-1-(2,2,5-trimethyl-1,3-dioxan-5-yl)ethanone (CID 158378446) is 2-[3-(1H-indol-4-yl)phenyl]-1-(2,2,5-trimethyl-1,3-dioxan-5-yl)ethanone.
What is the SMILES notation for 2-[3-(1H-indol-4-yl)phenyl]-1-(2,2,5-trimethyl-1,3-dioxan-5-yl)ethanone?
The canonical SMILES for 2-[3-(1H-indol-4-yl)phenyl]-1-(2,2,5-trimethyl-1,3-dioxan-5-yl)ethanone is CC1(C)OCC(C)(C(=O)Cc2cccc(-c3cccc4[nH]ccc34)c2)CO1.
What is the InChIKey of 2-[3-(1H-indol-4-yl)phenyl]-1-(2,2,5-trimethyl-1,3-dioxan-5-yl)ethanone?
The InChIKey is GVMJWFPBHIMOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-22(2)26-14-23(3,15-27-22)21(25)13-16-6-4-7-17(12-16)18-8-5-9-20-19(18)10-11-24-20/h4-12,24H,13-15H2,1-3H3.
What are the key properties of 2-[3-(1H-indol-4-yl)phenyl]-1-(2,2,5-trimethyl-1,3-dioxan-5-yl)ethanone?
2-[3-(1H-indol-4-yl)phenyl]-1-(2,2,5-trimethyl-1,3-dioxan-5-yl)ethanone has a molecular weight of 363.46 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-indol-4-yl)phenyl]-1-(2,2,5-trimethyl-1,3-dioxan-5-yl)ethanone is sourced from PubChem (CID 158378446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).