ethyl 2-[2-(3,5-dimethoxyphenyl)cyclohexyl]acetate

C18H26O4 — CID 71323182

IUPACethyl 2-[2-(3,5-dimethoxyphenyl)cyclohexyl]acetate
SMILESCCOC(=O)CC1CCCCC1c1cc(OC)cc(OC)c1
InChIInChI=1S/C18H26O4/c1-4-22-18(19)11-13-7-5-6-8-17(13)14-9-15(20-2)12-16(10-14)21-3/h9-10,12-13,17H,4-8,11H2,1-3H3
InChIKeyPWVBKBYQVGUQOJ-UHFFFAOYSA-N
MW306.40 g/mol
LogP3.93
Rot. Bonds6

About ethyl 2-[2-(3,5-dimethoxyphenyl)cyclohexyl]acetate

ethyl 2-[2-(3,5-dimethoxyphenyl)cyclohexyl]acetate (PubChem CID 71323182) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is ethyl 2-[2-(3,5-dimethoxyphenyl)cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3,5-dimethoxyphenyl)cyclohexyl]acetate
PubChem CID71323182
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Nameethyl 2-[2-(3,5-dimethoxyphenyl)cyclohexyl]acetate
SMILESCCOC(=O)CC1CCCCC1c1cc(OC)cc(OC)c1
InChIInChI=1S/C18H26O4/c1-4-22-18(19)11-13-7-5-6-8-17(13)14-9-15(20-2)12-16(10-14)21-3/h9-10,12-13,17H,4-8,11H2,1-3H3
InChIKeyPWVBKBYQVGUQOJ-UHFFFAOYSA-N
XLogP3.93
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate
CID 141490917
ethyl 2-[2-(4-hydroxyphenyl)cyclopentyl]acetate
CID 20792284
ethyl 2-[2-(4-methylsulfonylphenyl)cyclohexyl]acetate
CID 121319855
methyl 2-[2-(4-methylphenyl)cycloheptyl]acetate
CID 82245970
cis-ethyl (1R,2S)-2-[(3,5-dimethoxyphenyl)methyl]cyclopentane-1-carboxylate
CID 125472358
ethyl 2-(2-propan-2-ylcyclohexyl)acetate
CID 58689217
methyl 2-[2-(3-methylphenyl)cycloheptyl]acetate
CID 82245972
1,3-dimethoxy-5-[(1R,2R)-2-methylcyclohexyl]benzene
CID 124645669
ethyl 3-[[2-(3,4-dimethoxyphenyl)cyclohexyl]amino]-3-oxopropanoate
CID 69492937
ethyl 2-[2-(3,5-difluoro-4-methylphenyl)cyclopropyl]acetate
CID 58566598
[2-(3-methoxyphenyl)cyclohexyl]methanamine
CID 10443420
ethyl 3-[2-(3,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
CID 3290194

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3,5-dimethoxyphenyl)cyclohexyl]acetate?
The IUPAC name of ethyl 2-[2-(3,5-dimethoxyphenyl)cyclohexyl]acetate (CID 71323182) is ethyl 2-[2-(3,5-dimethoxyphenyl)cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[2-(3,5-dimethoxyphenyl)cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[2-(3,5-dimethoxyphenyl)cyclohexyl]acetate is CCOC(=O)CC1CCCCC1c1cc(OC)cc(OC)c1.
What is the InChIKey of ethyl 2-[2-(3,5-dimethoxyphenyl)cyclohexyl]acetate?
The InChIKey is PWVBKBYQVGUQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4/c1-4-22-18(19)11-13-7-5-6-8-17(13)14-9-15(20-2)12-16(10-14)21-3/h9-10,12-13,17H,4-8,11H2,1-3H3.
What are the key properties of ethyl 2-[2-(3,5-dimethoxyphenyl)cyclohexyl]acetate?
ethyl 2-[2-(3,5-dimethoxyphenyl)cyclohexyl]acetate has a molecular weight of 306.40 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3,5-dimethoxyphenyl)cyclohexyl]acetate is sourced from PubChem (CID 71323182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).