14-methylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,16,18-octaene-13,15-dione

C21H14O2 — CID 163684213

IUPAC14-methylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,16,18-octaene-13,15-dione
SMILESCC1C(=O)c2cccc3c2C(C1=O)c1ccc2ccccc2c1-3
InChIInChI=1S/C21H14O2/c1-11-20(22)16-8-4-7-14-17-13-6-3-2-5-12(13)9-10-15(17)19(18(14)16)21(11)23/h2-11,19H,1H3
InChIKeyJNKZYMXRAQJMRC-UHFFFAOYSA-N
MW298.34 g/mol
LogP4.35
Rot. Bonds

About 14-methylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,16,18-octaene-13,15-dione

14-methylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,16,18-octaene-13,15-dione (PubChem CID 163684213) has the molecular formula C21H14O2 and a molecular weight of 298.34 g/mol. Its IUPAC name is 14-methylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,16,18-octaene-13,15-dione.

Molecular Properties

Compound Name14-methylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,16,18-octaene-13,15-dione
PubChem CID163684213
Molecular FormulaC21H14O2
Molecular Weight298.34 g/mol
Exact Mass298.10
IUPAC Name14-methylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,16,18-octaene-13,15-dione
SMILESCC1C(=O)c2cccc3c2C(C1=O)c1ccc2ccccc2c1-3
InChIInChI=1S/C21H14O2/c1-11-20(22)16-8-4-7-14-17-13-6-3-2-5-12(13)9-10-15(17)19(18(14)16)21(11)23/h2-11,19H,1H3
InChIKeyJNKZYMXRAQJMRC-UHFFFAOYSA-N
XLogP4.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 14-methylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,16,18-octaene-13,15-dione with MolForge

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Related Compounds

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(3R)-3-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one
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7H-benzo[c]fluorene-7-carbaldehyde
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3-(16-hexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaenyl)-4-methylbenzonitrile
CID 155456724
3-(1,2,4-trioxophenanthren-3-yl)phenanthrene-1,2,4-trione
CID 10343512
2,3-dinaphthalen-1-ylcycloprop-2-en-1-one
CID 11034120
7-(2-cyclohexylnaphthalen-1-yl)-2,3-dihydroinden-1-one
CID 59052981
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
benzo[c]fluoren-7-one
CID 22413
(2E)-2-isocyano-2-(2-methyl-1-oxocyclopenta[a]naphthalen-3-ylidene)acetonitrile
CID 155626958
(3R)-3-methyl-2,3-dihydro-1H-phenanthren-4-one
CID 14940541
(3R,4R)-3-amino-4-methyl-1-naphthalen-1-ylazetidin-2-one
CID 124676524

Frequently Asked Questions

What is the IUPAC name of 14-methylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,16,18-octaene-13,15-dione?
The IUPAC name of 14-methylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,16,18-octaene-13,15-dione (CID 163684213) is 14-methylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,16,18-octaene-13,15-dione.
What is the SMILES notation for 14-methylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,16,18-octaene-13,15-dione?
The canonical SMILES for 14-methylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,16,18-octaene-13,15-dione is CC1C(=O)c2cccc3c2C(C1=O)c1ccc2ccccc2c1-3.
What is the InChIKey of 14-methylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,16,18-octaene-13,15-dione?
The InChIKey is JNKZYMXRAQJMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O2/c1-11-20(22)16-8-4-7-14-17-13-6-3-2-5-12(13)9-10-15(17)19(18(14)16)21(11)23/h2-11,19H,1H3.
What are the key properties of 14-methylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,16,18-octaene-13,15-dione?
14-methylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,16,18-octaene-13,15-dione has a molecular weight of 298.34 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,16,18-octaene-13,15-dione is sourced from PubChem (CID 163684213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).