5,7-dimethoxy-15,16-dioxatetracyclo[11.2.1.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaen-10-ol

C16H16O5 — CID 12982394

IUPAC5,7-dimethoxy-15,16-dioxatetracyclo[11.2.1.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaen-10-ol
SMILESCOc1cc(OC)c2cc3c(c(O)c2c1)CC1COC3O1
InChIInChI=1S/C16H16O5/c1-18-8-3-11-10(14(5-8)19-2)6-13-12(15(11)17)4-9-7-20-16(13)21-9/h3,5-6,9,16-17H,4,7H2,1-2H3
InChIKeyVEGXTBZYXLUEJB-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.53
Rot. Bonds2

About 5,7-dimethoxy-15,16-dioxatetracyclo[11.2.1.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaen-10-ol

5,7-dimethoxy-15,16-dioxatetracyclo[11.2.1.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaen-10-ol (PubChem CID 12982394) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 5,7-dimethoxy-15,16-dioxatetracyclo[11.2.1.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaen-10-ol.

Molecular Properties

Compound Name5,7-dimethoxy-15,16-dioxatetracyclo[11.2.1.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaen-10-ol
PubChem CID12982394
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name5,7-dimethoxy-15,16-dioxatetracyclo[11.2.1.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaen-10-ol
SMILESCOc1cc(OC)c2cc3c(c(O)c2c1)CC1COC3O1
InChIInChI=1S/C16H16O5/c1-18-8-3-11-10(14(5-8)19-2)6-13-12(15(11)17)4-9-7-20-16(13)21-9/h3,5-6,9,16-17H,4,7H2,1-2H3
InChIKeyVEGXTBZYXLUEJB-UHFFFAOYSA-N
XLogP2.53
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,7-dimethoxy-15,16-dioxatetracyclo[11.2.1.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaen-10-ol 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

3,4-Dihydro-6-methoxy-3,7-dimethyl-1H-2-benzopyran-8-ol
CID 50969
2-((7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 14521083
(3S,4S)-5-((3S,4S)-4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo(g)isochromen-5-yl)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo(g)isochromene-4,10-diol
CID 10257591
4,6,7,10-tetramethyl-6H-benzo[c]chromene-3,8-diol
CID 10061675
4,6,10-trimethyl-6H-benzo[c]chromene-3,8-diol
CID 11777167
Tricitrinol B
CID 46840960
Lyoniside
CID 14521039
3-(2-Hexyl-[1,3]dioxolan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
CID 10453633
(+)-Lyoniresinol 3alpha-O-beta-D-glucopyranoside
CID 10483388
Lyoniresinol, beta-D-xyloside; beta-D-Xylopyranoside, [1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-2-naphthalenyl]methyl, [1S-(1alpha,2beta,3alpha)]-
CID 14521038
3-Hydroxy-8,9-methylenedioxy-2-prenylpterocarpan
CID 494278
5,6,7,8-Tetrahydro-8alpha-(3,4,5-trimethoxyphenyl)-5beta,7beta-(epoxymethano)naphtho[2,3-d]-1,3-dioxole-6beta-methanol
CID 44272111

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-15,16-dioxatetracyclo[11.2.1.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaen-10-ol?
The IUPAC name of 5,7-dimethoxy-15,16-dioxatetracyclo[11.2.1.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaen-10-ol (CID 12982394) is 5,7-dimethoxy-15,16-dioxatetracyclo[11.2.1.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaen-10-ol.
What is the SMILES notation for 5,7-dimethoxy-15,16-dioxatetracyclo[11.2.1.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaen-10-ol?
The canonical SMILES for 5,7-dimethoxy-15,16-dioxatetracyclo[11.2.1.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaen-10-ol is COc1cc(OC)c2cc3c(c(O)c2c1)CC1COC3O1.
What is the InChIKey of 5,7-dimethoxy-15,16-dioxatetracyclo[11.2.1.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaen-10-ol?
The InChIKey is VEGXTBZYXLUEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-18-8-3-11-10(14(5-8)19-2)6-13-12(15(11)17)4-9-7-20-16(13)21-9/h3,5-6,9,16-17H,4,7H2,1-2H3.
What are the key properties of 5,7-dimethoxy-15,16-dioxatetracyclo[11.2.1.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaen-10-ol?
5,7-dimethoxy-15,16-dioxatetracyclo[11.2.1.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaen-10-ol has a molecular weight of 288.30 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-15,16-dioxatetracyclo[11.2.1.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaen-10-ol is sourced from PubChem (CID 12982394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).