ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate

C16H24O4 — CID 144796199

IUPACethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
SMILESCC.COC(=O)c1ccc(OC2CCCC2)c(OC)c1
InChIInChI=1S/C14H18O4.C2H6/c1-16-13-9-10(14(15)17-2)7-8-12(13)18-11-5-3-4-6-11;1-2/h7-9,11H,3-6H2,1-2H3;1-2H3
InChIKeyDYFCHYWZWRVNTN-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.83
Rot. Bonds4

About ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate

ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate (PubChem CID 144796199) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate.

Molecular Properties

Compound Nameethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
PubChem CID144796199
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Nameethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
SMILESCC.COC(=O)c1ccc(OC2CCCC2)c(OC)c1
InChIInChI=1S/C14H18O4.C2H6/c1-16-13-9-10(14(15)17-2)7-8-12(13)18-11-5-3-4-6-11;1-2/h7-9,11H,3-6H2,1-2H3;1-2H3
InChIKeyDYFCHYWZWRVNTN-UHFFFAOYSA-N
XLogP3.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(4-aminocyclohexyl)oxy-3-methoxybenzoate
CID 117053323
ethane;methyl 4-(3-fluorocyclobutyl)oxy-3-methoxybenzoate
CID 144795480
2-(4-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117414713
methyl 3-bromo-4-cyclobutyloxybenzoate
CID 18782514
ethane;methyl 4-(2,2-difluorocyclopropyl)oxy-3-methoxybenzoate
CID 144796424
2-bromo-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 54438505
4-cyclopentyloxy-N-(2,5-dimethoxyphenyl)-3-methoxybenzamide
CID 55792810
methyl 4-amino-3-cyclopropyloxybenzoate
CID 134284521
methyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]benzoate
CID 23222832
methyl 3-cyclopropyloxy-4-prop-1-en-2-ylbenzoate
CID 167708846
4-cyclopentyloxy-3-methoxy-N-methyl-N-(2-oxopropyl)benzamide
CID 130184757
2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid
CID 119223918

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate?
The IUPAC name of ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate (CID 144796199) is ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate.
What is the SMILES notation for ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate?
The canonical SMILES for ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate is CC.COC(=O)c1ccc(OC2CCCC2)c(OC)c1.
What is the InChIKey of ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate?
The InChIKey is DYFCHYWZWRVNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4.C2H6/c1-16-13-9-10(14(15)17-2)7-8-12(13)18-11-5-3-4-6-11;1-2/h7-9,11H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate?
ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate has a molecular weight of 280.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate is sourced from PubChem (CID 144796199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).