ethyl 4-(2-ethylbutoxy)benzoate

C15H22O3 — CID 82926863

IUPACethyl 4-(2-ethylbutoxy)benzoate
SMILESCCOC(=O)c1ccc(OCC(CC)CC)cc1
InChIInChI=1S/C15H22O3/c1-4-12(5-2)11-18-14-9-7-13(8-10-14)15(16)17-6-3/h7-10,12H,4-6,11H2,1-3H3
InChIKeyIXMVDXRMYUKUJL-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.68
Rot. Bonds7

About ethyl 4-(2-ethylbutoxy)benzoate

ethyl 4-(2-ethylbutoxy)benzoate (PubChem CID 82926863) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 4-(2-ethylbutoxy)benzoate.

Molecular Properties

Compound Nameethyl 4-(2-ethylbutoxy)benzoate
PubChem CID82926863
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Nameethyl 4-(2-ethylbutoxy)benzoate
SMILESCCOC(=O)c1ccc(OCC(CC)CC)cc1
InChIInChI=1S/C15H22O3/c1-4-12(5-2)11-18-14-9-7-13(8-10-14)15(16)17-6-3/h7-10,12H,4-6,11H2,1-3H3
InChIKeyIXMVDXRMYUKUJL-UHFFFAOYSA-N
XLogP3.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(2S)-2-hydroxybutoxy]benzoate
CID 15106108
ethane;[4-(2-ethylbutoxy)phenyl]-phenylmethanone
CID 143798927
ethyl 4-[(2S)-2-benzyloctoxy]benzoate
CID 102414210
bis(4-ethoxycarbonylphenyl) (Z)-but-2-enedioate
CID 58764671
ethyl 4-(3-fluoropropoxy)benzoate
CID 81106633
ethyl 4-octoxybenzoate
CID 18955745
ethyl 4-(4-butoxybenzoyl)benzoate
CID 70804443
ethyl 4-decoxybenzoate
CID 3706251
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
4-O-(2-ethylbutyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730701
ethyl 4-(2-chloroprop-2-enoxy)benzoate
CID 60644502
(E)-3-[4-(2-ethylbutoxy)phenyl]-3-phenylprop-2-enoic acid
CID 68864480

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-ethylbutoxy)benzoate?
The IUPAC name of ethyl 4-(2-ethylbutoxy)benzoate (CID 82926863) is ethyl 4-(2-ethylbutoxy)benzoate.
What is the SMILES notation for ethyl 4-(2-ethylbutoxy)benzoate?
The canonical SMILES for ethyl 4-(2-ethylbutoxy)benzoate is CCOC(=O)c1ccc(OCC(CC)CC)cc1.
What is the InChIKey of ethyl 4-(2-ethylbutoxy)benzoate?
The InChIKey is IXMVDXRMYUKUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-12(5-2)11-18-14-9-7-13(8-10-14)15(16)17-6-3/h7-10,12H,4-6,11H2,1-3H3.
What are the key properties of ethyl 4-(2-ethylbutoxy)benzoate?
ethyl 4-(2-ethylbutoxy)benzoate has a molecular weight of 250.34 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-ethylbutoxy)benzoate is sourced from PubChem (CID 82926863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).