methyl 2-cyclopentyloxy-3-methoxybenzoate

C14H18O4 — CID 117054108

IUPACmethyl 2-cyclopentyloxy-3-methoxybenzoate
SMILESCOC(=O)c1cccc(OC)c1OC1CCCC1
InChIInChI=1S/C14H18O4/c1-16-12-9-5-8-11(14(15)17-2)13(12)18-10-6-3-4-7-10/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyYMNAOWWHGHRVLF-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.80
Rot. Bonds4

About methyl 2-cyclopentyloxy-3-methoxybenzoate

methyl 2-cyclopentyloxy-3-methoxybenzoate (PubChem CID 117054108) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is methyl 2-cyclopentyloxy-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-cyclopentyloxy-3-methoxybenzoate
PubChem CID117054108
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namemethyl 2-cyclopentyloxy-3-methoxybenzoate
SMILESCOC(=O)c1cccc(OC)c1OC1CCCC1
InChIInChI=1S/C14H18O4/c1-16-12-9-5-8-11(14(15)17-2)13(12)18-10-6-3-4-7-10/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyYMNAOWWHGHRVLF-UHFFFAOYSA-N
XLogP2.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclohexyloxybenzoate
CID 11345342
methyl 2-amino-3-cyclopentyloxy-4-methoxybenzoate
CID 66781747
methyl 2-amino-3-cyclohexyloxybenzoate
CID 113333231
3-amino-1-(2-cyclopropyloxy-3-methoxyphenyl)propan-1-one
CID 117342156
2-cyclohexyloxy-3-methoxybenzenecarboximidamide
CID 82253454
2-cyclopentyloxy-1-ethyl-3-methoxybenzene
CID 90711986
methyl 3-amino-2-(3-methylcyclohexyl)oxybenzoate
CID 112579722
1-bromo-2-cyclobutyloxy-3-methoxybenzene
CID 84709057
N-[(2-cyclopentyloxyphenyl)methyl]-2,3-dimethoxybenzamide
CID 55810457
methyl 2-ethoxy-3-methoxybenzoate
CID 45094190
2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate
CID 6424506
2-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]-2-oxoacetic acid
CID 117473276

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopentyloxy-3-methoxybenzoate?
The IUPAC name of methyl 2-cyclopentyloxy-3-methoxybenzoate (CID 117054108) is methyl 2-cyclopentyloxy-3-methoxybenzoate.
What is the SMILES notation for methyl 2-cyclopentyloxy-3-methoxybenzoate?
The canonical SMILES for methyl 2-cyclopentyloxy-3-methoxybenzoate is COC(=O)c1cccc(OC)c1OC1CCCC1.
What is the InChIKey of methyl 2-cyclopentyloxy-3-methoxybenzoate?
The InChIKey is YMNAOWWHGHRVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-16-12-9-5-8-11(14(15)17-2)13(12)18-10-6-3-4-7-10/h5,8-10H,3-4,6-7H2,1-2H3.
What are the key properties of methyl 2-cyclopentyloxy-3-methoxybenzoate?
methyl 2-cyclopentyloxy-3-methoxybenzoate has a molecular weight of 250.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopentyloxy-3-methoxybenzoate is sourced from PubChem (CID 117054108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).