1-methoxyethyl 5-chloro-2-(2-methoxyethoxy)benzoate

C13H17ClO5 — CID 69018130

IUPAC1-methoxyethyl 5-chloro-2-(2-methoxyethoxy)benzoate
SMILESCOCCOc1ccc(Cl)cc1C(=O)OC(C)OC
InChIInChI=1S/C13H17ClO5/c1-9(17-3)19-13(15)11-8-10(14)4-5-12(11)18-7-6-16-2/h4-5,8-9H,6-7H2,1-3H3
InChIKeyRYVJFNXKWHCFMG-UHFFFAOYSA-N
MW288.73 g/mol
LogP2.51
Rot. Bonds7

About 1-methoxyethyl 5-chloro-2-(2-methoxyethoxy)benzoate

1-methoxyethyl 5-chloro-2-(2-methoxyethoxy)benzoate (PubChem CID 69018130) has the molecular formula C13H17ClO5 and a molecular weight of 288.73 g/mol. Its IUPAC name is 1-methoxyethyl 5-chloro-2-(2-methoxyethoxy)benzoate.

Molecular Properties

Compound Name1-methoxyethyl 5-chloro-2-(2-methoxyethoxy)benzoate
PubChem CID69018130
Molecular FormulaC13H17ClO5
Molecular Weight288.73 g/mol
Exact Mass288.08
IUPAC Name1-methoxyethyl 5-chloro-2-(2-methoxyethoxy)benzoate
SMILESCOCCOc1ccc(Cl)cc1C(=O)OC(C)OC
InChIInChI=1S/C13H17ClO5/c1-9(17-3)19-13(15)11-8-10(14)4-5-12(11)18-7-6-16-2/h4-5,8-9H,6-7H2,1-3H3
InChIKeyRYVJFNXKWHCFMG-UHFFFAOYSA-N
XLogP2.51
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone
CID 104563243
5-chloro-2-(4-methoxybutoxy)benzoic acid
CID 104646799
methyl 5-chloro-2-(2-chloroethoxy)benzoate
CID 66846837
4-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]-3-methylbutanoic acid
CID 120689709
5-chloro-2-(2-methoxyethoxy)benzenesulfinic acid
CID 165449360
N-(3-aminopropyl)-5-chloro-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119405795
2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene
CID 43142012
5-chloro-2-propoxybenzoyl chloride
CID 12863236
5-chloro-2-[2-hydroxy-3-(2-methoxyethoxy)propoxy]benzoic acid
CID 106988297
5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 670791
N-(3-amino-2-methylpropyl)-5-chloro-2-propoxybenzamide;hydrochloride
CID 119996312
5-chloro-2-propoxybenzoic acid;tungsten
CID 58176462

Frequently Asked Questions

What is the IUPAC name of 1-methoxyethyl 5-chloro-2-(2-methoxyethoxy)benzoate?
The IUPAC name of 1-methoxyethyl 5-chloro-2-(2-methoxyethoxy)benzoate (CID 69018130) is 1-methoxyethyl 5-chloro-2-(2-methoxyethoxy)benzoate.
What is the SMILES notation for 1-methoxyethyl 5-chloro-2-(2-methoxyethoxy)benzoate?
The canonical SMILES for 1-methoxyethyl 5-chloro-2-(2-methoxyethoxy)benzoate is COCCOc1ccc(Cl)cc1C(=O)OC(C)OC.
What is the InChIKey of 1-methoxyethyl 5-chloro-2-(2-methoxyethoxy)benzoate?
The InChIKey is RYVJFNXKWHCFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO5/c1-9(17-3)19-13(15)11-8-10(14)4-5-12(11)18-7-6-16-2/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 1-methoxyethyl 5-chloro-2-(2-methoxyethoxy)benzoate?
1-methoxyethyl 5-chloro-2-(2-methoxyethoxy)benzoate has a molecular weight of 288.73 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethyl 5-chloro-2-(2-methoxyethoxy)benzoate is sourced from PubChem (CID 69018130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).