propan-2-yl 4-bromo-2-ethylbenzoate

C12H15BrO2 — CID 22568988

IUPACpropan-2-yl 4-bromo-2-ethylbenzoate
SMILESCCc1cc(Br)ccc1C(=O)OC(C)C
InChIInChI=1S/C12H15BrO2/c1-4-9-7-10(13)5-6-11(9)12(14)15-8(2)3/h5-8H,4H2,1-3H3
InChIKeyRSVFYVOGIASCPI-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.58
Rot. Bonds3

About propan-2-yl 4-bromo-2-ethylbenzoate

propan-2-yl 4-bromo-2-ethylbenzoate (PubChem CID 22568988) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is propan-2-yl 4-bromo-2-ethylbenzoate.

Molecular Properties

Compound Namepropan-2-yl 4-bromo-2-ethylbenzoate
PubChem CID22568988
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Namepropan-2-yl 4-bromo-2-ethylbenzoate
SMILESCCc1cc(Br)ccc1C(=O)OC(C)C
InChIInChI=1S/C12H15BrO2/c1-4-9-7-10(13)5-6-11(9)12(14)15-8(2)3/h5-8H,4H2,1-3H3
InChIKeyRSVFYVOGIASCPI-UHFFFAOYSA-N
XLogP3.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl 2-ethyl-4-methylbenzoate
CID 143066074
propan-2-yl 2-ethyl-4-propan-2-yloxybenzoate
CID 82552007
propan-2-yl 4-bromo-2-[(cyclopropylmethylamino)methyl]benzoate
CID 69074587
propan-2-yl 2-(5-bromo-2-methoxyphenyl)acetate
CID 82550039
ethyl 4-bromo-2-(methoxymethyl)benzoate
CID 141482166
1-ethoxypropan-2-yl 2-amino-4-bromobenzoate
CID 103488997
1-(4-bromo-2-ethylphenyl)hexane-1,3,4-trione
CID 153296084
4-bromo-2-(2-methylpropyl)benzoic acid
CID 24824351
propan-2-yl 5-ethyl-2-methoxybenzoate
CID 82551716
[1-[2-(aminomethyl)-4-bromophenyl]-1-oxopropan-2-yl] acetate
CID 174423673
4-methylpentan-2-yl 2-amino-5-bromobenzoate
CID 63540447
2-[5-bromo-2-(2-chloropropanoyl)phenyl]acetic acid
CID 134629317

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-bromo-2-ethylbenzoate?
The IUPAC name of propan-2-yl 4-bromo-2-ethylbenzoate (CID 22568988) is propan-2-yl 4-bromo-2-ethylbenzoate.
What is the SMILES notation for propan-2-yl 4-bromo-2-ethylbenzoate?
The canonical SMILES for propan-2-yl 4-bromo-2-ethylbenzoate is CCc1cc(Br)ccc1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 4-bromo-2-ethylbenzoate?
The InChIKey is RSVFYVOGIASCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-4-9-7-10(13)5-6-11(9)12(14)15-8(2)3/h5-8H,4H2,1-3H3.
What are the key properties of propan-2-yl 4-bromo-2-ethylbenzoate?
propan-2-yl 4-bromo-2-ethylbenzoate has a molecular weight of 271.15 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-bromo-2-ethylbenzoate is sourced from PubChem (CID 22568988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).