ethyl 2-(3-tert-butylphenoxy)butanoate

C16H24O3 — CID 63001634

IUPACethyl 2-(3-tert-butylphenoxy)butanoate
SMILESCCOC(=O)C(CC)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C16H24O3/c1-6-14(15(17)18-7-2)19-13-10-8-9-12(11-13)16(3,4)5/h8-11,14H,6-7H2,1-5H3
InChIKeyNSHWDWKEGQQNGW-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.70
Rot. Bonds5

About ethyl 2-(3-tert-butylphenoxy)butanoate

ethyl 2-(3-tert-butylphenoxy)butanoate (PubChem CID 63001634) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is ethyl 2-(3-tert-butylphenoxy)butanoate.

Molecular Properties

Compound Nameethyl 2-(3-tert-butylphenoxy)butanoate
PubChem CID63001634
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Nameethyl 2-(3-tert-butylphenoxy)butanoate
SMILESCCOC(=O)C(CC)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C16H24O3/c1-6-14(15(17)18-7-2)19-13-10-8-9-12(11-13)16(3,4)5/h8-11,14H,6-7H2,1-5H3
InChIKeyNSHWDWKEGQQNGW-UHFFFAOYSA-N
XLogP3.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-(3-bromophenoxy)butanoate
CID 40628551
2-(3-tert-butylphenoxy)-N'-hydroxybutanimidamide
CID 76915790
ethyl 2-(3-carbamoylphenoxy)butanoate
CID 64662255
ethyl 2-[3-[(1R)-1-aminoethyl]phenoxy]butanoate
CID 78996836
ethyl 2-(4-methylphenoxy)butanoate
CID 64662052
ethyl 2-[3-[(propan-2-ylamino)methyl]phenoxy]butanoate
CID 64669104
ethyl (2R)-2-(2,6-dimethylphenoxy)butanoate
CID 125470264
3-(3-tert-butylphenoxy)pentanethioamide
CID 43368943
ethyl 2-(4-propylphenoxy)butanoate
CID 64662863
ethyl 2-(3-ethylphenoxy)pentanoate
CID 83038247
ethyl (2S)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanoate
CID 168869982
methyl 2-(3-aminophenoxy)butanoate
CID 18433398

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-tert-butylphenoxy)butanoate?
The IUPAC name of ethyl 2-(3-tert-butylphenoxy)butanoate (CID 63001634) is ethyl 2-(3-tert-butylphenoxy)butanoate.
What is the SMILES notation for ethyl 2-(3-tert-butylphenoxy)butanoate?
The canonical SMILES for ethyl 2-(3-tert-butylphenoxy)butanoate is CCOC(=O)C(CC)Oc1cccc(C(C)(C)C)c1.
What is the InChIKey of ethyl 2-(3-tert-butylphenoxy)butanoate?
The InChIKey is NSHWDWKEGQQNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-6-14(15(17)18-7-2)19-13-10-8-9-12(11-13)16(3,4)5/h8-11,14H,6-7H2,1-5H3.
What are the key properties of ethyl 2-(3-tert-butylphenoxy)butanoate?
ethyl 2-(3-tert-butylphenoxy)butanoate has a molecular weight of 264.37 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-tert-butylphenoxy)butanoate is sourced from PubChem (CID 63001634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).