19-methyl-3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaene

C19H14O — CID 14388

IUPAC19-methyl-3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaene
SMILESCc1c2c(cc3ccccc13)-c1ccccc1C1OC21
InChIInChI=1S/C19H14O/c1-11-13-7-3-2-6-12(13)10-16-14-8-4-5-9-15(14)18-19(20-18)17(11)16/h2-10,18-19H,1H3
InChIKeyMFBSRFKHKCKLIC-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.94
Rot. Bonds

About 19-methyl-3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaene

19-methyl-3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaene (PubChem CID 14388) has the molecular formula C19H14O and a molecular weight of 258.32 g/mol. Its IUPAC name is 19-methyl-3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaene.

Molecular Properties

Compound Name19-methyl-3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaene
PubChem CID14388
Molecular FormulaC19H14O
Molecular Weight258.32 g/mol
Exact Mass258.10
IUPAC Name19-methyl-3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaene
SMILESCc1c2c(cc3ccccc13)-c1ccccc1C1OC21
InChIInChI=1S/C19H14O/c1-11-13-7-3-2-6-12(13)10-16-14-8-4-5-9-15(14)18-19(20-18)17(11)16/h2-10,18-19H,1H3
InChIKeyMFBSRFKHKCKLIC-UHFFFAOYSA-N
XLogP4.94
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 19-methyl-3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 19-methyl-3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaene?
The IUPAC name of 19-methyl-3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaene (CID 14388) is 19-methyl-3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaene.
What is the SMILES notation for 19-methyl-3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaene?
The canonical SMILES for 19-methyl-3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaene is Cc1c2c(cc3ccccc13)-c1ccccc1C1OC21.
What is the InChIKey of 19-methyl-3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaene?
The InChIKey is MFBSRFKHKCKLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O/c1-11-13-7-3-2-6-12(13)10-16-14-8-4-5-9-15(14)18-19(20-18)17(11)16/h2-10,18-19H,1H3.
What are the key properties of 19-methyl-3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaene?
19-methyl-3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaene has a molecular weight of 258.32 g/mol, XLogP of 4.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 19-methyl-3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaene is sourced from PubChem (CID 14388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).