ethyl 2-hydroxy-2-(4-methoxy-8-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)acetate

C16H20O4 — CID 91098697

IUPACethyl 2-hydroxy-2-(4-methoxy-8-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)acetate
SMILESCCOC(=O)C(O)C1c2ccc(OC)cc2C2CC1C2
InChIInChI=1S/C16H20O4/c1-3-20-16(18)15(17)14-10-6-9(7-10)13-8-11(19-2)4-5-12(13)14/h4-5,8-10,14-15,17H,3,6-7H2,1-2H3
InChIKeyIONKGJVDXUCUAC-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.21
Rot. Bonds4

About ethyl 2-hydroxy-2-(4-methoxy-8-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)acetate

ethyl 2-hydroxy-2-(4-methoxy-8-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)acetate (PubChem CID 91098697) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(4-methoxy-8-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(4-methoxy-8-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)acetate
PubChem CID91098697
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Nameethyl 2-hydroxy-2-(4-methoxy-8-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)acetate
SMILESCCOC(=O)C(O)C1c2ccc(OC)cc2C2CC1C2
InChIInChI=1S/C16H20O4/c1-3-20-16(18)15(17)14-10-6-9(7-10)13-8-11(19-2)4-5-12(13)14/h4-5,8-10,14-15,17H,3,6-7H2,1-2H3
InChIKeyIONKGJVDXUCUAC-UHFFFAOYSA-N
XLogP2.21
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-hydroxy-2-(4-methoxy-8-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)acetate 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

ethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 113325923
diethyl 2-[(2R,3S)-2-(2,5-dimethoxyphenyl)oxolan-3-yl]propanedioate
CID 122396445
ethyl 2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate
CID 61498112
ethyl 2-hydroxy-2-[4-methoxy-2-(methoxymethyl)phenyl]acetate
CID 117388855
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
tetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate
CID 11733003
ethyl 3-cyclopropyl-2-(3-methoxyphenoxy)propanoate
CID 142960753
ethyl 2-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)acetate
CID 14330292
tetraethyl (2R,3S)-2,3-bis(4-methoxyphenyl)butane-1,1,4,4-tetracarboxylate
CID 10602909
ethyl 2-(3-hydroxy-5-methoxy-2-methyl-3H-inden-1-yl)acetate
CID 71356870
diethyl 2-(2,4-dimethoxyphenyl)propanedioate
CID 13193850
ethyl 4-[2-(1,3-dioxan-2-yl)-4-methoxyphenyl]-4-nitrobutanoate
CID 175337402

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(4-methoxy-8-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(4-methoxy-8-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)acetate (CID 91098697) is ethyl 2-hydroxy-2-(4-methoxy-8-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(4-methoxy-8-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(4-methoxy-8-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)acetate is CCOC(=O)C(O)C1c2ccc(OC)cc2C2CC1C2.
What is the InChIKey of ethyl 2-hydroxy-2-(4-methoxy-8-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)acetate?
The InChIKey is IONKGJVDXUCUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-3-20-16(18)15(17)14-10-6-9(7-10)13-8-11(19-2)4-5-12(13)14/h4-5,8-10,14-15,17H,3,6-7H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-2-(4-methoxy-8-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)acetate?
ethyl 2-hydroxy-2-(4-methoxy-8-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)acetate has a molecular weight of 276.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(4-methoxy-8-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)acetate is sourced from PubChem (CID 91098697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).