2-methylpropyl 3,5-diethoxybenzoate

C15H22O4 — CID 139818503

IUPAC2-methylpropyl 3,5-diethoxybenzoate
SMILESCCOc1cc(OCC)cc(C(=O)OCC(C)C)c1
InChIInChI=1S/C15H22O4/c1-5-17-13-7-12(8-14(9-13)18-6-2)15(16)19-10-11(3)4/h7-9,11H,5-6,10H2,1-4H3
InChIKeyIKEKQGUSNVLTFY-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.30
Rot. Bonds7

About 2-methylpropyl 3,5-diethoxybenzoate

2-methylpropyl 3,5-diethoxybenzoate (PubChem CID 139818503) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-methylpropyl 3,5-diethoxybenzoate.

Molecular Properties

Compound Name2-methylpropyl 3,5-diethoxybenzoate
PubChem CID139818503
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2-methylpropyl 3,5-diethoxybenzoate
SMILESCCOc1cc(OCC)cc(C(=O)OCC(C)C)c1
InChIInChI=1S/C15H22O4/c1-5-17-13-7-12(8-14(9-13)18-6-2)15(16)19-10-11(3)4/h7-9,11H,5-6,10H2,1-4H3
InChIKeyIKEKQGUSNVLTFY-UHFFFAOYSA-N
XLogP3.30
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxypropyl 3-amino-5-ethoxybenzoate
CID 81092070
3-ethoxycarbonyl-5-(2-methylpropoxy)benzoic acid
CID 67305199
2-methylpropyl 3,4-diethoxybenzoate
CID 82186382
3-methylbutyl 3-amino-5-ethoxybenzoate
CID 81091232
5-(2-methylpropoxycarbonyl)benzene-1,3-dicarboxylic acid
CID 91210060
ethyl 3-amino-5-ethoxybenzoate
CID 58424919
ethyl 3-ethoxy-5-propanoylbenzoate
CID 134642064
2-methylpropyl 4-amino-3,5-dichlorobenzoate
CID 10967287
2-methylpropyl 3-bromo-5-fluorobenzoate
CID 142440915
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-amino-5-ethoxybenzoate
CID 81093375
methyl 3-amino-5-ethoxybenzoate
CID 45089063
2-(3-amino-5-ethoxybenzoyl)oxyacetic acid
CID 81091355

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3,5-diethoxybenzoate?
The IUPAC name of 2-methylpropyl 3,5-diethoxybenzoate (CID 139818503) is 2-methylpropyl 3,5-diethoxybenzoate.
What is the SMILES notation for 2-methylpropyl 3,5-diethoxybenzoate?
The canonical SMILES for 2-methylpropyl 3,5-diethoxybenzoate is CCOc1cc(OCC)cc(C(=O)OCC(C)C)c1.
What is the InChIKey of 2-methylpropyl 3,5-diethoxybenzoate?
The InChIKey is IKEKQGUSNVLTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-5-17-13-7-12(8-14(9-13)18-6-2)15(16)19-10-11(3)4/h7-9,11H,5-6,10H2,1-4H3.
What are the key properties of 2-methylpropyl 3,5-diethoxybenzoate?
2-methylpropyl 3,5-diethoxybenzoate has a molecular weight of 266.34 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3,5-diethoxybenzoate is sourced from PubChem (CID 139818503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).