(1R,8S,10R)-4-methoxy-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-15-one

C16H18O3 — CID 101242052

IUPAC(1R,8S,10R)-4-methoxy-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-15-one
SMILESCOc1ccc2c(c1)[C@@]13CCCC[C@@H]1C[C@@H]2OC3=O
InChIInChI=1S/C16H18O3/c1-18-11-5-6-12-13(9-11)16-7-3-2-4-10(16)8-14(12)19-15(16)17/h5-6,9-10,14H,2-4,7-8H2,1H3/t10-,14+,16-/m1/s1
InChIKeyXZEVMRRGLOGTFA-FUEDEBDSSA-N
MW258.32 g/mol
LogP3.12
Rot. Bonds1

About (1R,8S,10R)-4-methoxy-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-15-one

(1R,8S,10R)-4-methoxy-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-15-one (PubChem CID 101242052) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is (1R,8S,10R)-4-methoxy-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-15-one.

Molecular Properties

Compound Name(1R,8S,10R)-4-methoxy-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-15-one
PubChem CID101242052
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name(1R,8S,10R)-4-methoxy-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-15-one
SMILESCOc1ccc2c(c1)[C@@]13CCCC[C@@H]1C[C@@H]2OC3=O
InChIInChI=1S/C16H18O3/c1-18-11-5-6-12-13(9-11)16-7-3-2-4-10(16)8-14(12)19-15(16)17/h5-6,9-10,14H,2-4,7-8H2,1H3/t10-,14+,16-/m1/s1
InChIKeyXZEVMRRGLOGTFA-FUEDEBDSSA-N
XLogP3.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,8S,10R)-4-methoxy-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-15-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

6-methoxy-2,3,4,9,10,10a-hexahydro-1H-phenanthrene-4a,9-dicarboxylic acid
CID 67911104
1-cyclopentyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374780
(1S,9R,12R)-4-methoxy-8,10-diazatetracyclo[7.6.0.01,12.02,7]pentadeca-2(7),3,5-triene
CID 132918335
5a-(3-methoxyphenyl)-2,4,5,6,7,8,9,9a-octahydro-1H-benzo[c]azepin-3-one
CID 21330649
(1R,2R,3R,6S,7R,8S)-11-methoxy-22-oxaheptacyclo[6.6.6.32,7.23,6.02,7.09,14.015,20]pentacosa-4,9(14),10,12,15,17,19-heptaene-21,23-dione
CID 10762580
6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
CID 112513028
(1R,2S,3S,6R,7R,8S)-11-methoxy-22-oxaheptacyclo[6.6.6.32,7.13,6.02,7.09,14.015,20]tetracosa-4,9(14),10,12,15,17,19-heptaene-21,23-dione
CID 10785381
1-ethylsulfanyl-5'-methoxyspiro[1,2-dihydroindene-3,3'-1-benzofuran]-2'-one
CID 58629970
1-(4-methoxy-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaenyl)-N-methylmethanamine
CID 154098192
7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714285
(4R)-7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944809
4-methoxy-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-triene-8,16-dione
CID 67911037

Frequently Asked Questions

What is the IUPAC name of (1R,8S,10R)-4-methoxy-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-15-one?
The IUPAC name of (1R,8S,10R)-4-methoxy-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-15-one (CID 101242052) is (1R,8S,10R)-4-methoxy-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-15-one.
What is the SMILES notation for (1R,8S,10R)-4-methoxy-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-15-one?
The canonical SMILES for (1R,8S,10R)-4-methoxy-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-15-one is COc1ccc2c(c1)[C@@]13CCCC[C@@H]1C[C@@H]2OC3=O.
What is the InChIKey of (1R,8S,10R)-4-methoxy-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-15-one?
The InChIKey is XZEVMRRGLOGTFA-FUEDEBDSSA-N. The full InChI is InChI=1S/C16H18O3/c1-18-11-5-6-12-13(9-11)16-7-3-2-4-10(16)8-14(12)19-15(16)17/h5-6,9-10,14H,2-4,7-8H2,1H3/t10-,14+,16-/m1/s1.
What are the key properties of (1R,8S,10R)-4-methoxy-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-15-one?
(1R,8S,10R)-4-methoxy-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-15-one has a molecular weight of 258.32 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S,10R)-4-methoxy-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-15-one is sourced from PubChem (CID 101242052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).