(1R,9R,10S,12R)-1-methoxy-10,12-diphenyl-13-oxatetracyclo[7.3.1.02,7.010,12]trideca-2,4,6-trien-8-one

C25H20O3 — CID 11610338

IUPAC(1R,9R,10S,12R)-1-methoxy-10,12-diphenyl-13-oxatetracyclo[7.3.1.02,7.010,12]trideca-2,4,6-trien-8-one
SMILESCO[C@@]12O[C@@H](C(=O)c3ccccc31)[C@]1(c3ccccc3)C[C@]21c1ccccc1
InChIInChI=1S/C25H20O3/c1-27-25-20-15-9-8-14-19(20)21(26)22(28-25)23(17-10-4-2-5-11-17)16-24(23,25)18-12-6-3-7-13-18/h2-15,22H,16H2,1H3/t22-,23+,24+,25+/m0/s1
InChIKeyYTRVTXOVARHITM-ZYQDXHPFSA-N
MW368.43 g/mol
LogP4.36
Rot. Bonds3

About (1R,9R,10S,12R)-1-methoxy-10,12-diphenyl-13-oxatetracyclo[7.3.1.02,7.010,12]trideca-2,4,6-trien-8-one

(1R,9R,10S,12R)-1-methoxy-10,12-diphenyl-13-oxatetracyclo[7.3.1.02,7.010,12]trideca-2,4,6-trien-8-one (PubChem CID 11610338) has the molecular formula C25H20O3 and a molecular weight of 368.43 g/mol. Its IUPAC name is (1R,9R,10S,12R)-1-methoxy-10,12-diphenyl-13-oxatetracyclo[7.3.1.02,7.010,12]trideca-2,4,6-trien-8-one.

Molecular Properties

Compound Name(1R,9R,10S,12R)-1-methoxy-10,12-diphenyl-13-oxatetracyclo[7.3.1.02,7.010,12]trideca-2,4,6-trien-8-one
PubChem CID11610338
Molecular FormulaC25H20O3
Molecular Weight368.43 g/mol
Exact Mass368.14
IUPAC Name(1R,9R,10S,12R)-1-methoxy-10,12-diphenyl-13-oxatetracyclo[7.3.1.02,7.010,12]trideca-2,4,6-trien-8-one
SMILESCO[C@@]12O[C@@H](C(=O)c3ccccc31)[C@]1(c3ccccc3)C[C@]21c1ccccc1
InChIInChI=1S/C25H20O3/c1-27-25-20-15-9-8-14-19(20)21(26)22(28-25)23(17-10-4-2-5-11-17)16-24(23,25)18-12-6-3-7-13-18/h2-15,22H,16H2,1H3/t22-,23+,24+,25+/m0/s1
InChIKeyYTRVTXOVARHITM-ZYQDXHPFSA-N
XLogP4.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,9R,10S,12R)-1-methoxy-10,12-diphenyl-13-oxatetracyclo[7.3.1.02,7.010,12]trideca-2,4,6-trien-8-one with MolForge

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Related Compounds

(1R,9R,10S,11R,12R)-1-methoxy-10,11,12-triphenyl-13-oxatetracyclo[7.3.1.02,7.010,12]trideca-2,4,6-trien-8-one
CID 11640841
(1S,2R,11S,12S)-2-hydroxy-1-methoxy-10,20-dioxapentacyclo[10.7.1.02,11.03,8.014,19]icosa-3,5,7,14,16,18-hexaene-9,13-dione
CID 155931100
(3S)-3-methoxy-3-phenyl-2-benzofuran-1-one
CID 1224663
(1R,9S,10R)-1-methoxy-10-propan-2-yl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one
CID 13479095
(3R,4'bS,9'aS)-4'b-phenylspiro[2H-indene-3,10'-9aH-indeno[1,2-a]indene]-1,9'-dione
CID 92644227
9b-methoxy-2-phenyl-2,3-dihydrobenzo[g][1]benzofuran-5-one
CID 146162479
(3R,4R)-3,4-dimethyl-4-phenyl-2,3-dihydronaphthalen-1-one
CID 125117217
benzyl (1S,9S,10S)-10-ethyl-1-methoxy-8-oxo-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-10-carboxylate
CID 11383040
(1S,9R,10R)-10-(2,6-dichlorophenyl)-1-methoxy-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one
CID 13190793
(1S,9R,10S)-10-cyclohexyloxy-1-methoxy-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one
CID 102275933
(3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one
CID 102494819
3'-methoxy-3'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-one
CID 142663538

Frequently Asked Questions

What is the IUPAC name of (1R,9R,10S,12R)-1-methoxy-10,12-diphenyl-13-oxatetracyclo[7.3.1.02,7.010,12]trideca-2,4,6-trien-8-one?
The IUPAC name of (1R,9R,10S,12R)-1-methoxy-10,12-diphenyl-13-oxatetracyclo[7.3.1.02,7.010,12]trideca-2,4,6-trien-8-one (CID 11610338) is (1R,9R,10S,12R)-1-methoxy-10,12-diphenyl-13-oxatetracyclo[7.3.1.02,7.010,12]trideca-2,4,6-trien-8-one.
What is the SMILES notation for (1R,9R,10S,12R)-1-methoxy-10,12-diphenyl-13-oxatetracyclo[7.3.1.02,7.010,12]trideca-2,4,6-trien-8-one?
The canonical SMILES for (1R,9R,10S,12R)-1-methoxy-10,12-diphenyl-13-oxatetracyclo[7.3.1.02,7.010,12]trideca-2,4,6-trien-8-one is CO[C@@]12O[C@@H](C(=O)c3ccccc31)[C@]1(c3ccccc3)C[C@]21c1ccccc1.
What is the InChIKey of (1R,9R,10S,12R)-1-methoxy-10,12-diphenyl-13-oxatetracyclo[7.3.1.02,7.010,12]trideca-2,4,6-trien-8-one?
The InChIKey is YTRVTXOVARHITM-ZYQDXHPFSA-N. The full InChI is InChI=1S/C25H20O3/c1-27-25-20-15-9-8-14-19(20)21(26)22(28-25)23(17-10-4-2-5-11-17)16-24(23,25)18-12-6-3-7-13-18/h2-15,22H,16H2,1H3/t22-,23+,24+,25+/m0/s1.
What are the key properties of (1R,9R,10S,12R)-1-methoxy-10,12-diphenyl-13-oxatetracyclo[7.3.1.02,7.010,12]trideca-2,4,6-trien-8-one?
(1R,9R,10S,12R)-1-methoxy-10,12-diphenyl-13-oxatetracyclo[7.3.1.02,7.010,12]trideca-2,4,6-trien-8-one has a molecular weight of 368.43 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,10S,12R)-1-methoxy-10,12-diphenyl-13-oxatetracyclo[7.3.1.02,7.010,12]trideca-2,4,6-trien-8-one is sourced from PubChem (CID 11610338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).