butan-2-yl 3-propan-2-yloxybenzoate

C14H20O3 — CID 82186277

IUPACbutan-2-yl 3-propan-2-yloxybenzoate
SMILESCCC(C)OC(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C14H20O3/c1-5-11(4)17-14(15)12-7-6-8-13(9-12)16-10(2)3/h6-11H,5H2,1-4H3
InChIKeyBBISDNHHEFHASV-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.43
Rot. Bonds5

About butan-2-yl 3-propan-2-yloxybenzoate

butan-2-yl 3-propan-2-yloxybenzoate (PubChem CID 82186277) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is butan-2-yl 3-propan-2-yloxybenzoate.

Molecular Properties

Compound Namebutan-2-yl 3-propan-2-yloxybenzoate
PubChem CID82186277
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namebutan-2-yl 3-propan-2-yloxybenzoate
SMILESCCC(C)OC(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C14H20O3/c1-5-11(4)17-14(15)12-7-6-8-13(9-12)16-10(2)3/h6-11H,5H2,1-4H3
InChIKeyBBISDNHHEFHASV-UHFFFAOYSA-N
XLogP3.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[(2R)-butan-2-yl]oxybenzoate
CID 139830028
butan-2-yl 3-(aminomethyl)benzoate
CID 60903488
2-hydroxy-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 103453162
propan-2-yl 3-(4-propan-2-yloxybenzoyl)oxybenzoate
CID 17162418
(3-propoxycarbonylphenyl) 3-propan-2-yloxybenzoate
CID 17169726
propan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate
CID 40769471
propan-2-yl 3-propoxybenzoate
CID 60979538
butan-2-yl 3-(4-acetyloxyphenyl)benzoate
CID 2891518
(3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 62797135
[(2S)-butan-2-yl] 3-(prop-2-ynylcarbamoyl)benzoate
CID 101232510
4-oxo-4-(3-propan-2-yloxyphenyl)butanenitrile
CID 61213015
butan-2-yl 9,10-dioxoanthracene-2-carboxylate
CID 59414704

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 3-propan-2-yloxybenzoate?
The IUPAC name of butan-2-yl 3-propan-2-yloxybenzoate (CID 82186277) is butan-2-yl 3-propan-2-yloxybenzoate.
What is the SMILES notation for butan-2-yl 3-propan-2-yloxybenzoate?
The canonical SMILES for butan-2-yl 3-propan-2-yloxybenzoate is CCC(C)OC(=O)c1cccc(OC(C)C)c1.
What is the InChIKey of butan-2-yl 3-propan-2-yloxybenzoate?
The InChIKey is BBISDNHHEFHASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-11(4)17-14(15)12-7-6-8-13(9-12)16-10(2)3/h6-11H,5H2,1-4H3.
What are the key properties of butan-2-yl 3-propan-2-yloxybenzoate?
butan-2-yl 3-propan-2-yloxybenzoate has a molecular weight of 236.31 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 3-propan-2-yloxybenzoate is sourced from PubChem (CID 82186277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).