(1S,10R,13S)-6,13-dimethoxy-10-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4(9),5,7-trien-15-one

C18H22O4 — CID 10662123

IUPAC(1S,10R,13S)-6,13-dimethoxy-10-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4(9),5,7-trien-15-one
SMILESCOc1ccc2c(c1)CC[C@]13C[C@](OC)(CC[C@]21C)OC3=O
InChIInChI=1S/C18H22O4/c1-16-8-9-18(21-3)11-17(16,15(19)22-18)7-6-12-10-13(20-2)4-5-14(12)16/h4-5,10H,6-9,11H2,1-3H3/t16-,17-,18+/m1/s1
InChIKeyUFEAZSHSILODTL-KURKYZTESA-N
MW302.37 g/mol
LogP2.97
Rot. Bonds2

About (1S,10R,13S)-6,13-dimethoxy-10-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4(9),5,7-trien-15-one

(1S,10R,13S)-6,13-dimethoxy-10-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4(9),5,7-trien-15-one (PubChem CID 10662123) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is (1S,10R,13S)-6,13-dimethoxy-10-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4(9),5,7-trien-15-one.

Molecular Properties

Compound Name(1S,10R,13S)-6,13-dimethoxy-10-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4(9),5,7-trien-15-one
PubChem CID10662123
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name(1S,10R,13S)-6,13-dimethoxy-10-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4(9),5,7-trien-15-one
SMILESCOc1ccc2c(c1)CC[C@]13C[C@](OC)(CC[C@]21C)OC3=O
InChIInChI=1S/C18H22O4/c1-16-8-9-18(21-3)11-17(16,15(19)22-18)7-6-12-10-13(20-2)4-5-14(12)16/h4-5,10H,6-9,11H2,1-3H3/t16-,17-,18+/m1/s1
InChIKeyUFEAZSHSILODTL-KURKYZTESA-N
XLogP2.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S,10R,13S)-6,13-dimethoxy-10-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4(9),5,7-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-3,3-dimethyl-1,2-dihydroindene
CID 22152285
3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386
6-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]
CID 82277020
8-methoxy-5,5-dimethyl-2,3-dihydro-1H-3-benzazepin-4-one
CID 168876558
(3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-one
CID 67359240
(1R,2R,11S,14S,15R)-7-methoxy-2,11,14-trimethylpentacyclo[13.2.2.01,14.02,11.05,10]nonadeca-5(10),6,8,16-tetraen-15-ol
CID 134906351
2-(1,5-dimethoxy-2,3-dihydroinden-1-yl)acetic acid
CID 105497580
methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate
CID 83910529
7-methoxy-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene
CID 102291297
3-methoxy-7,7-dimethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
CID 13096425
7-hydroxy-4a-methyl-3,4,9,10-tetrahydrophenanthren-2-one;7-methoxy-4a-methyl-3,4,9,10-tetrahydrophenanthren-2-one
CID 157082028
1-(2,5-dimethoxyphenyl)-5-fluoro-2,3-dihydroinden-1-ol
CID 116531723

Frequently Asked Questions

What is the IUPAC name of (1S,10R,13S)-6,13-dimethoxy-10-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4(9),5,7-trien-15-one?
The IUPAC name of (1S,10R,13S)-6,13-dimethoxy-10-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4(9),5,7-trien-15-one (CID 10662123) is (1S,10R,13S)-6,13-dimethoxy-10-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4(9),5,7-trien-15-one.
What is the SMILES notation for (1S,10R,13S)-6,13-dimethoxy-10-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4(9),5,7-trien-15-one?
The canonical SMILES for (1S,10R,13S)-6,13-dimethoxy-10-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4(9),5,7-trien-15-one is COc1ccc2c(c1)CC[C@]13C[C@](OC)(CC[C@]21C)OC3=O.
What is the InChIKey of (1S,10R,13S)-6,13-dimethoxy-10-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4(9),5,7-trien-15-one?
The InChIKey is UFEAZSHSILODTL-KURKYZTESA-N. The full InChI is InChI=1S/C18H22O4/c1-16-8-9-18(21-3)11-17(16,15(19)22-18)7-6-12-10-13(20-2)4-5-14(12)16/h4-5,10H,6-9,11H2,1-3H3/t16-,17-,18+/m1/s1.
What are the key properties of (1S,10R,13S)-6,13-dimethoxy-10-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4(9),5,7-trien-15-one?
(1S,10R,13S)-6,13-dimethoxy-10-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4(9),5,7-trien-15-one has a molecular weight of 302.37 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10R,13S)-6,13-dimethoxy-10-methyl-14-oxatetracyclo[11.2.1.01,10.04,9]hexadeca-4(9),5,7-trien-15-one is sourced from PubChem (CID 10662123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).