1-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),4,6,8,11,14,16,18-octaen-8-yl)ethanone

C20H14O3 — CID 170228939

IUPAC1-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),4,6,8,11,14,16,18-octaen-8-yl)ethanone
SMILESCC(=O)c1cccc2c1C1C=Cc3c(oc4ccccc34)C1O2
InChIInChI=1S/C20H14O3/c1-11(21)12-6-4-8-17-18(12)15-10-9-14-13-5-2-3-7-16(13)22-19(14)20(15)23-17/h2-10,15,20H,1H3
InChIKeyPHTONFOGKOYMDT-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.88
Rot. Bonds1

About 1-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),4,6,8,11,14,16,18-octaen-8-yl)ethanone

1-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),4,6,8,11,14,16,18-octaen-8-yl)ethanone (PubChem CID 170228939) has the molecular formula C20H14O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),4,6,8,11,14,16,18-octaen-8-yl)ethanone.

Molecular Properties

Compound Name1-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),4,6,8,11,14,16,18-octaen-8-yl)ethanone
PubChem CID170228939
Molecular FormulaC20H14O3
Molecular Weight302.33 g/mol
Exact Mass302.09
IUPAC Name1-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),4,6,8,11,14,16,18-octaen-8-yl)ethanone
SMILESCC(=O)c1cccc2c1C1C=Cc3c(oc4ccccc34)C1O2
InChIInChI=1S/C20H14O3/c1-11(21)12-6-4-8-17-18(12)15-10-9-14-13-5-2-3-7-16(13)22-19(14)20(15)23-17/h2-10,15,20H,1H3
InChIKeyPHTONFOGKOYMDT-UHFFFAOYSA-N
XLogP4.88
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),4,6,8,11,14,16,18-octaen-8-yl)ethanone 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

1-[(2S,3R)-3-methyl-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]ethanone
CID 135054044
1-dibenzofuran-4-ylethanone
CID 15691981
8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene
CID 142466952
(3R,4S)-4-azido-3,4-dihydrodibenzofuran-3-ol
CID 151477234
1-(2-acetylphenyl)ethanone;methane
CID 158210616
N-phenyldibenzofuran-1-carboxamide
CID 11850358
1-(2-acetyl-1-benzofuran-3-yl)ethanone
CID 11637030
ethyl dibenzofuran-1-carboxylate
CID 11858911
1-[5-bromo-2-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]ethanone
CID 142604922
10-methyl-10H-indeno[1,2-b][1]benzofuran-1-carboxylic acid
CID 59975172
acetaldehyde;1-(2-acetylphenyl)ethanone
CID 159210458
ethane;8-phenyl-8H-cyclohepta[b][1]benzofuran
CID 142519672

Frequently Asked Questions

What is the IUPAC name of 1-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),4,6,8,11,14,16,18-octaen-8-yl)ethanone?
The IUPAC name of 1-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),4,6,8,11,14,16,18-octaen-8-yl)ethanone (CID 170228939) is 1-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),4,6,8,11,14,16,18-octaen-8-yl)ethanone.
What is the SMILES notation for 1-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),4,6,8,11,14,16,18-octaen-8-yl)ethanone?
The canonical SMILES for 1-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),4,6,8,11,14,16,18-octaen-8-yl)ethanone is CC(=O)c1cccc2c1C1C=Cc3c(oc4ccccc34)C1O2.
What is the InChIKey of 1-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),4,6,8,11,14,16,18-octaen-8-yl)ethanone?
The InChIKey is PHTONFOGKOYMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O3/c1-11(21)12-6-4-8-17-18(12)15-10-9-14-13-5-2-3-7-16(13)22-19(14)20(15)23-17/h2-10,15,20H,1H3.
What are the key properties of 1-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),4,6,8,11,14,16,18-octaen-8-yl)ethanone?
1-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),4,6,8,11,14,16,18-octaen-8-yl)ethanone has a molecular weight of 302.33 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),4,6,8,11,14,16,18-octaen-8-yl)ethanone is sourced from PubChem (CID 170228939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).