propan-2-yl 2-ethyl-4-methylbenzoate

C13H18O2 — CID 143066074

IUPACpropan-2-yl 2-ethyl-4-methylbenzoate
SMILESCCc1cc(C)ccc1C(=O)OC(C)C
InChIInChI=1S/C13H18O2/c1-5-11-8-10(4)6-7-12(11)13(14)15-9(2)3/h6-9H,5H2,1-4H3
InChIKeyDWMKMNGYGYPAKU-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.12
Rot. Bonds3

About propan-2-yl 2-ethyl-4-methylbenzoate

propan-2-yl 2-ethyl-4-methylbenzoate (PubChem CID 143066074) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is propan-2-yl 2-ethyl-4-methylbenzoate.

Molecular Properties

Compound Namepropan-2-yl 2-ethyl-4-methylbenzoate
PubChem CID143066074
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Namepropan-2-yl 2-ethyl-4-methylbenzoate
SMILESCCc1cc(C)ccc1C(=O)OC(C)C
InChIInChI=1S/C13H18O2/c1-5-11-8-10(4)6-7-12(11)13(14)15-9(2)3/h6-9H,5H2,1-4H3
InChIKeyDWMKMNGYGYPAKU-UHFFFAOYSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl 2-ethyl-4-propan-2-yloxybenzoate
CID 82552007
propan-2-yl 4-bromo-2-ethylbenzoate
CID 22568988
2-ethyl-4-methylbenzoic acid
CID 19886963
prop-2-enoyl 2-ethyl-4-methylbenzenecarboperoxoate
CID 174614301
propan-2-yl 5-ethyl-2-methoxybenzoate
CID 82551716
benzoyloxycarbonyl 2-ethyl-4-methylbenzoate
CID 175113899
1-(2-ethyl-4-methylphenyl)prop-2-en-1-one;1-(2-propan-2-ylphenyl)prop-2-en-1-one
CID 176716175
ethyl 2-(methoxymethyl)-4-methylbenzoate
CID 177243717
propan-2-yl 5-ethyl-2-methylfuran-3-carboxylate
CID 139747350
propan-2-yl 3-ethyl-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]benzoate
CID 121367607
1-(2-acetyl-4-methylphenyl)-2-methylpropan-1-one
CID 177054489
3-bromo-1-(2-ethyl-4-methylphenyl)propan-1-one
CID 134624571

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-ethyl-4-methylbenzoate?
The IUPAC name of propan-2-yl 2-ethyl-4-methylbenzoate (CID 143066074) is propan-2-yl 2-ethyl-4-methylbenzoate.
What is the SMILES notation for propan-2-yl 2-ethyl-4-methylbenzoate?
The canonical SMILES for propan-2-yl 2-ethyl-4-methylbenzoate is CCc1cc(C)ccc1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-ethyl-4-methylbenzoate?
The InChIKey is DWMKMNGYGYPAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-5-11-8-10(4)6-7-12(11)13(14)15-9(2)3/h6-9H,5H2,1-4H3.
What are the key properties of propan-2-yl 2-ethyl-4-methylbenzoate?
propan-2-yl 2-ethyl-4-methylbenzoate has a molecular weight of 206.28 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-ethyl-4-methylbenzoate is sourced from PubChem (CID 143066074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).