6,14-dimethyl-12,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15),13-heptaen-16-one

C17H12O3 — CID 10264769

IUPAC6,14-dimethyl-12,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15),13-heptaen-16-one
SMILESCc1cccc2c1ccc1c3occ(C)c3c(=O)oc21
InChIInChI=1S/C17H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)20-17(18)14-10(2)8-19-16(13)14/h3-8H,1-2H3
InChIKeyLGZUUBFLEYOEEX-UHFFFAOYSA-N
MW264.28 g/mol
LogP4.31
Rot. Bonds

About 6,14-dimethyl-12,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15),13-heptaen-16-one

6,14-dimethyl-12,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15),13-heptaen-16-one (PubChem CID 10264769) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 6,14-dimethyl-12,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15),13-heptaen-16-one.

Molecular Properties

Compound Name6,14-dimethyl-12,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15),13-heptaen-16-one
PubChem CID10264769
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Name6,14-dimethyl-12,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15),13-heptaen-16-one
SMILESCc1cccc2c1ccc1c3occ(C)c3c(=O)oc21
InChIInChI=1S/C17H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)20-17(18)14-10(2)8-19-16(13)14/h3-8H,1-2H3
InChIKeyLGZUUBFLEYOEEX-UHFFFAOYSA-N
XLogP4.31
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6,14-dimethyl-12,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15),13-heptaen-16-one 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

14-methyl-6-propyl-12,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15),13-heptaen-16-one
CID 45142039
1,6-dimethylbenzo[e][1]benzofuran
CID 172538519
3,9-dimethylbenzo[g][1]benzofuran
CID 172538502
5,15,15-trimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),4,11(16),17-pentaene-7,9-dione
CID 14609844
1,5-dimethylnaphthalene
CID 162159355
2,6-dimethyl-3-phenylfuro[3,2-c]chromen-4-one
CID 142746632
3-(5,17-dimethyl-3-oxa-8,10-diazapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),4,7(11),9,13,15,17,19-nonaen-9-yl)-1H-quinolin-2-one
CID 135638759
10-methylnaphtho[1,2-b][1]benzofuran
CID 58510874
3-hydroxy-7-methylbenzo[c]chromen-6-one
CID 171935919
4-hydroxy-8-methyl-2-oxochromene-3-carbonitrile;hydrate
CID 159853913
7-chloro-3-methyl-1-benzofuran
CID 67275578
3,4-diethyl-8-methylisochromen-1-one
CID 164678535

Frequently Asked Questions

What is the IUPAC name of 6,14-dimethyl-12,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15),13-heptaen-16-one?
The IUPAC name of 6,14-dimethyl-12,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15),13-heptaen-16-one (CID 10264769) is 6,14-dimethyl-12,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15),13-heptaen-16-one.
What is the SMILES notation for 6,14-dimethyl-12,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15),13-heptaen-16-one?
The canonical SMILES for 6,14-dimethyl-12,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15),13-heptaen-16-one is Cc1cccc2c1ccc1c3occ(C)c3c(=O)oc21.
What is the InChIKey of 6,14-dimethyl-12,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15),13-heptaen-16-one?
The InChIKey is LGZUUBFLEYOEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)20-17(18)14-10(2)8-19-16(13)14/h3-8H,1-2H3.
What are the key properties of 6,14-dimethyl-12,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15),13-heptaen-16-one?
6,14-dimethyl-12,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15),13-heptaen-16-one has a molecular weight of 264.28 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,14-dimethyl-12,17-dioxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11(15),13-heptaen-16-one is sourced from PubChem (CID 10264769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).