methyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]benzoate

C22H26O4 — CID 23222832

IUPACmethyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]benzoate
SMILESCOC(=O)c1cccc(CCc2ccc(OC)c(OC3CCCC3)c2)c1
InChIInChI=1S/C22H26O4/c1-24-20-13-12-17(15-21(20)26-19-8-3-4-9-19)11-10-16-6-5-7-18(14-16)22(23)25-2/h5-7,12-15,19H,3-4,8-11H2,1-2H3
InChIKeyPAEIHRQMVCOYTB-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.59
Rot. Bonds7

About methyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]benzoate

methyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]benzoate (PubChem CID 23222832) has the molecular formula C22H26O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is methyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]benzoate
PubChem CID23222832
Molecular FormulaC22H26O4
Molecular Weight354.45 g/mol
Exact Mass354.18
IUPAC Namemethyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]benzoate
SMILESCOC(=O)c1cccc(CCc2ccc(OC)c(OC3CCCC3)c2)c1
InChIInChI=1S/C22H26O4/c1-24-20-13-12-17(15-21(20)26-19-8-3-4-9-19)11-10-16-6-5-7-18(14-16)22(23)25-2/h5-7,12-15,19H,3-4,8-11H2,1-2H3
InChIKeyPAEIHRQMVCOYTB-UHFFFAOYSA-N
XLogP4.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
CID 144796199
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
methyl 3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]benzoate
CID 8721345
tert-butyl N-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
CID 19707495
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 55985016
2-(3-cyclopropyloxy-4-methoxyphenyl)ethanol
CID 117297599
3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865862
(3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate
CID 174456641
(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 142662106
benzamide;3-cyclopentyloxy-4-methoxybenzamide
CID 18691056
methyl 3-[2-[1-(3-cyclopentyloxy-4-methoxyphenyl)-4-oxocyclohexyl]ethynyl]benzoate
CID 15392032

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]benzoate?
The IUPAC name of methyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]benzoate (CID 23222832) is methyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]benzoate.
What is the SMILES notation for methyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]benzoate?
The canonical SMILES for methyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]benzoate is COC(=O)c1cccc(CCc2ccc(OC)c(OC3CCCC3)c2)c1.
What is the InChIKey of methyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]benzoate?
The InChIKey is PAEIHRQMVCOYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O4/c1-24-20-13-12-17(15-21(20)26-19-8-3-4-9-19)11-10-16-6-5-7-18(14-16)22(23)25-2/h5-7,12-15,19H,3-4,8-11H2,1-2H3.
What are the key properties of methyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]benzoate?
methyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]benzoate has a molecular weight of 354.45 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]benzoate is sourced from PubChem (CID 23222832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).