(1-phenylindol-3-yl) acetate

C16H13NO2 — CID 22012240

IUPAC(1-phenylindol-3-yl) acetate
SMILESCC(=O)Oc1cn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C16H13NO2/c1-12(18)19-16-11-17(13-7-3-2-4-8-13)15-10-6-5-9-14(15)16/h2-11H,1H3
InChIKeyRUSDDKCNWDTJPN-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.56
Rot. Bonds2

About (1-phenylindol-3-yl) acetate

(1-phenylindol-3-yl) acetate (PubChem CID 22012240) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is (1-phenylindol-3-yl) acetate.

Molecular Properties

Compound Name(1-phenylindol-3-yl) acetate
PubChem CID22012240
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name(1-phenylindol-3-yl) acetate
SMILESCC(=O)Oc1cn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C16H13NO2/c1-12(18)19-16-11-17(13-7-3-2-4-8-13)15-10-6-5-9-14(15)16/h2-11H,1H3
InChIKeyRUSDDKCNWDTJPN-UHFFFAOYSA-N
XLogP3.56
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-phenylindol-3-yl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Indoxyl acetate
CID 11841
8-Acetoxyquinoline
CID 75777
N-Methyl-5-benzyloxyindole
CID 259196
Benzothiazepine analog 5
CID 9927532
Benzothiazepine analog 3
CID 9950117
Benzothiazepine analog 1
CID 10317281
1-(4-methoxyphenyl)-1H-indole
CID 775715
Butanoic acid, 1H-indol-3-yl ester
CID 78047
N-acetyl-5-bromoindolyl acetate
CID 118505
Methyl-propyl-carbamic acid 5-phenyl-6-oxa-10b-aza-benzo[e]azulen-4-yl ester
CID 10992385
Ethyl-methyl-carbamic acid 5-phenyl-6-oxa-10b-aza-benzo[e]azulen-4-yl ester
CID 11057504
1-Methyl-2-[5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-1H-indole
CID 44372368

Frequently Asked Questions

What is the IUPAC name of (1-phenylindol-3-yl) acetate?
The IUPAC name of (1-phenylindol-3-yl) acetate (CID 22012240) is (1-phenylindol-3-yl) acetate.
What is the SMILES notation for (1-phenylindol-3-yl) acetate?
The canonical SMILES for (1-phenylindol-3-yl) acetate is CC(=O)Oc1cn(-c2ccccc2)c2ccccc12.
What is the InChIKey of (1-phenylindol-3-yl) acetate?
The InChIKey is RUSDDKCNWDTJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-12(18)19-16-11-17(13-7-3-2-4-8-13)15-10-6-5-9-14(15)16/h2-11H,1H3.
What are the key properties of (1-phenylindol-3-yl) acetate?
(1-phenylindol-3-yl) acetate has a molecular weight of 251.29 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylindol-3-yl) acetate is sourced from PubChem (CID 22012240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).