methyl 2-[4-(2-cyclopentyl-2-methoxyethoxy)-3-methoxyphenyl]acetate

C18H26O5 — CID 167777930

IUPACmethyl 2-[4-(2-cyclopentyl-2-methoxyethoxy)-3-methoxyphenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC(OC)C2CCCC2)c(OC)c1
InChIInChI=1S/C18H26O5/c1-20-16-10-13(11-18(19)22-3)8-9-15(16)23-12-17(21-2)14-6-4-5-7-14/h8-10,14,17H,4-7,11-12H2,1-3H3
InChIKeyVPZIQEHOYJBTBR-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.99
Rot. Bonds8

About methyl 2-[4-(2-cyclopentyl-2-methoxyethoxy)-3-methoxyphenyl]acetate

methyl 2-[4-(2-cyclopentyl-2-methoxyethoxy)-3-methoxyphenyl]acetate (PubChem CID 167777930) has the molecular formula C18H26O5 and a molecular weight of 322.40 g/mol. Its IUPAC name is methyl 2-[4-(2-cyclopentyl-2-methoxyethoxy)-3-methoxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-cyclopentyl-2-methoxyethoxy)-3-methoxyphenyl]acetate
PubChem CID167777930
Molecular FormulaC18H26O5
Molecular Weight322.40 g/mol
Exact Mass322.18
IUPAC Namemethyl 2-[4-(2-cyclopentyl-2-methoxyethoxy)-3-methoxyphenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC(OC)C2CCCC2)c(OC)c1
InChIInChI=1S/C18H26O5/c1-20-16-10-13(11-18(19)22-3)8-9-15(16)23-12-17(21-2)14-6-4-5-7-14/h8-10,14,17H,4-7,11-12H2,1-3H3
InChIKeyVPZIQEHOYJBTBR-UHFFFAOYSA-N
XLogP2.99
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-(2-cyclopentyl-2-methoxyethoxy)-3-methoxyphenyl]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

N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
methyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate
CID 134307216
methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate
CID 60881875
methyl 2-[3-[2-[(cyclopentylamino)methyl]-4-methylphenyl]-4-methoxyphenyl]acetate
CID 58149067
methyl 2-(4-acetyloxy-3-methoxyphenyl)acetate
CID 586458
1-cyclopentyl-3-(4-ethyl-2-methoxyphenoxy)propan-2-ol
CID 103260703
N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 119590262
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667346
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667306
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone
CID 60863000
[(1R,2R)-2-methoxycyclopentyl] 2-(3,4-dimethoxyphenyl)acetate
CID 96523533
2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-1-phenylethanol
CID 2991831

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-cyclopentyl-2-methoxyethoxy)-3-methoxyphenyl]acetate?
The IUPAC name of methyl 2-[4-(2-cyclopentyl-2-methoxyethoxy)-3-methoxyphenyl]acetate (CID 167777930) is methyl 2-[4-(2-cyclopentyl-2-methoxyethoxy)-3-methoxyphenyl]acetate.
What is the SMILES notation for methyl 2-[4-(2-cyclopentyl-2-methoxyethoxy)-3-methoxyphenyl]acetate?
The canonical SMILES for methyl 2-[4-(2-cyclopentyl-2-methoxyethoxy)-3-methoxyphenyl]acetate is COC(=O)Cc1ccc(OCC(OC)C2CCCC2)c(OC)c1.
What is the InChIKey of methyl 2-[4-(2-cyclopentyl-2-methoxyethoxy)-3-methoxyphenyl]acetate?
The InChIKey is VPZIQEHOYJBTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O5/c1-20-16-10-13(11-18(19)22-3)8-9-15(16)23-12-17(21-2)14-6-4-5-7-14/h8-10,14,17H,4-7,11-12H2,1-3H3.
What are the key properties of methyl 2-[4-(2-cyclopentyl-2-methoxyethoxy)-3-methoxyphenyl]acetate?
methyl 2-[4-(2-cyclopentyl-2-methoxyethoxy)-3-methoxyphenyl]acetate has a molecular weight of 322.40 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-cyclopentyl-2-methoxyethoxy)-3-methoxyphenyl]acetate is sourced from PubChem (CID 167777930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).