10-cyclopropyl-6-methoxy-2,9-dioxatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-one

C14H14O4 — CID 162517740

IUPAC10-cyclopropyl-6-methoxy-2,9-dioxatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-one
SMILESCOc1cc2c3c(c1)C(=O)OC3CC(C1CC1)O2
InChIInChI=1S/C14H14O4/c1-16-8-4-9-13-11(5-8)17-10(7-2-3-7)6-12(13)18-14(9)15/h4-5,7,10,12H,2-3,6H2,1H3
InChIKeyVKAZUQVJIHOGJP-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.47
Rot. Bonds2

About 10-cyclopropyl-6-methoxy-2,9-dioxatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-one

10-cyclopropyl-6-methoxy-2,9-dioxatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-one (PubChem CID 162517740) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 10-cyclopropyl-6-methoxy-2,9-dioxatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-one.

Molecular Properties

Compound Name10-cyclopropyl-6-methoxy-2,9-dioxatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-one
PubChem CID162517740
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name10-cyclopropyl-6-methoxy-2,9-dioxatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-one
SMILESCOc1cc2c3c(c1)C(=O)OC3CC(C1CC1)O2
InChIInChI=1S/C14H14O4/c1-16-8-4-9-13-11(5-8)17-10(7-2-3-7)6-12(13)18-14(9)15/h4-5,7,10,12H,2-3,6H2,1H3
InChIKeyVKAZUQVJIHOGJP-UHFFFAOYSA-N
XLogP2.47
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-cyclopropyl-6-methoxy-2,9-dioxatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-one with MolForge

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Related Compounds

7-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708777
(1R,3aR,8bS)-6,8-dimethoxy-1-propan-2-yl-1,2,3a,8b-tetrahydrocyclopenta[b][1]benzofuran-3-one
CID 11311922
2-cyclopropyl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712990
6-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715458
(2S,4S)-5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 10755627
2-cyclohexyl-N-ethyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114711017
7-methoxy-5-methyl-2-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydrochromen-4-one
CID 59873237
(2S,3S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2,4,6-trimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 118983376
(4R)-2-cyclohexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104947068
6-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 86216518
(2R,3S)-3-cyclohexyl-2-(3,5-dimethoxyphenyl)-4,6-dimethoxy-2,3-dihydroinden-1-one
CID 127031315
(4S)-6-methoxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946752

Frequently Asked Questions

What is the IUPAC name of 10-cyclopropyl-6-methoxy-2,9-dioxatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-one?
The IUPAC name of 10-cyclopropyl-6-methoxy-2,9-dioxatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-one (CID 162517740) is 10-cyclopropyl-6-methoxy-2,9-dioxatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-one.
What is the SMILES notation for 10-cyclopropyl-6-methoxy-2,9-dioxatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-one?
The canonical SMILES for 10-cyclopropyl-6-methoxy-2,9-dioxatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-one is COc1cc2c3c(c1)C(=O)OC3CC(C1CC1)O2.
What is the InChIKey of 10-cyclopropyl-6-methoxy-2,9-dioxatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-one?
The InChIKey is VKAZUQVJIHOGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-16-8-4-9-13-11(5-8)17-10(7-2-3-7)6-12(13)18-14(9)15/h4-5,7,10,12H,2-3,6H2,1H3.
What are the key properties of 10-cyclopropyl-6-methoxy-2,9-dioxatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-one?
10-cyclopropyl-6-methoxy-2,9-dioxatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-one has a molecular weight of 246.26 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclopropyl-6-methoxy-2,9-dioxatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-one is sourced from PubChem (CID 162517740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).