(10-methyl-2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,10,12,14-heptaenyl) 2-methoxyacetate

C20H20O3 — CID 163982300

IUPAC(10-methyl-2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,10,12,14-heptaenyl) 2-methoxyacetate
SMILESCOCC(=O)OC1Cc2ccccc2C(C)=Cc2ccccc21
InChIInChI=1S/C20H20O3/c1-14-11-15-7-4-6-10-18(15)19(23-20(21)13-22-2)12-16-8-3-5-9-17(14)16/h3-11,19H,12-13H2,1-2H3
InChIKeySZMGFOIOOQSPMZ-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.03
Rot. Bonds3

About (10-methyl-2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,10,12,14-heptaenyl) 2-methoxyacetate

(10-methyl-2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,10,12,14-heptaenyl) 2-methoxyacetate (PubChem CID 163982300) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (10-methyl-2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,10,12,14-heptaenyl) 2-methoxyacetate.

Molecular Properties

Compound Name(10-methyl-2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,10,12,14-heptaenyl) 2-methoxyacetate
PubChem CID163982300
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name(10-methyl-2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,10,12,14-heptaenyl) 2-methoxyacetate
SMILESCOCC(=O)OC1Cc2ccccc2C(C)=Cc2ccccc21
InChIInChI=1S/C20H20O3/c1-14-11-15-7-4-6-10-18(15)19(23-20(21)13-22-2)12-16-8-3-5-9-17(14)16/h3-11,19H,12-13H2,1-2H3
InChIKeySZMGFOIOOQSPMZ-UHFFFAOYSA-N
XLogP4.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[(2E)-10-methoxy-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaenyl]-1-methylhydrazine
CID 146385208
methane;tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-ol;2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-ynyl 2-[2-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]ethoxy]acetate
CID 158434625
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 139796474
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 101173546
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CID 134872418
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CID 102310380
N-[(1R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxyacetamide
CID 166991162
(3-methylidene-1,2-dihydroinden-1-yl) 2,2-dimethylpropanoate
CID 59868532
(3-oxo-1,2-dihydroinden-2-yl) benzoate
CID 76516726
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(3-oxo-1,2-dihydroinden-2-yl) 2-bromopropanoate
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Frequently Asked Questions

What is the IUPAC name of (10-methyl-2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,10,12,14-heptaenyl) 2-methoxyacetate?
The IUPAC name of (10-methyl-2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,10,12,14-heptaenyl) 2-methoxyacetate (CID 163982300) is (10-methyl-2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,10,12,14-heptaenyl) 2-methoxyacetate.
What is the SMILES notation for (10-methyl-2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,10,12,14-heptaenyl) 2-methoxyacetate?
The canonical SMILES for (10-methyl-2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,10,12,14-heptaenyl) 2-methoxyacetate is COCC(=O)OC1Cc2ccccc2C(C)=Cc2ccccc21.
What is the InChIKey of (10-methyl-2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,10,12,14-heptaenyl) 2-methoxyacetate?
The InChIKey is SZMGFOIOOQSPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-14-11-15-7-4-6-10-18(15)19(23-20(21)13-22-2)12-16-8-3-5-9-17(14)16/h3-11,19H,12-13H2,1-2H3.
What are the key properties of (10-methyl-2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,10,12,14-heptaenyl) 2-methoxyacetate?
(10-methyl-2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,10,12,14-heptaenyl) 2-methoxyacetate has a molecular weight of 308.38 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10-methyl-2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,10,12,14-heptaenyl) 2-methoxyacetate is sourced from PubChem (CID 163982300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).