acetic acid;1-ethyl-2-methylbenzene

C11H16O2 — CID 67948051

IUPACacetic acid;1-ethyl-2-methylbenzene
SMILESCC(=O)O.CCc1ccccc1C
InChIInChI=1S/C9H12.C2H4O2/c1-3-9-7-5-4-6-8(9)2;1-2(3)4/h4-7H,3H2,1-2H3;1H3,(H,3,4)
InChIKeyLVCLYJIOARLCPI-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.65
Rot. Bonds1

About acetic acid;1-ethyl-2-methylbenzene

acetic acid;1-ethyl-2-methylbenzene (PubChem CID 67948051) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is acetic acid;1-ethyl-2-methylbenzene.

Molecular Properties

Compound Nameacetic acid;1-ethyl-2-methylbenzene
PubChem CID67948051
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Nameacetic acid;1-ethyl-2-methylbenzene
SMILESCC(=O)O.CCc1ccccc1C
InChIInChI=1S/C9H12.C2H4O2/c1-3-9-7-5-4-6-8(9)2;1-2(3)4/h4-7H,3H2,1-2H3;1H3,(H,3,4)
InChIKeyLVCLYJIOARLCPI-UHFFFAOYSA-N
XLogP2.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-2-methylbenzene;phenol
CID 161311856
1-ethyl-2-methylbenzene;propane;toluene
CID 159725880
2-(2-methylphenyl)acetic acid
CID 67440217
carbanide;ethane;1-ethyl-2-methylbenzene;yttrium
CID 165046421
benzene;1,2-diethylbenzene;1,2-xylene
CID 174742983
butane;ethane;1-ethyl-2-methylbenzene;methane
CID 144514138
carbonic acid;1,2-diethylbenzene
CID 89388803
1-ethyl-2-methylbenzene;sulfamide
CID 67800161
1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene
CID 158943282
1-ethyl-2-methylbenzene;4-(4-hydroxyphenyl)phenol
CID 174751633
dichloromethane;2-(2-methylphenyl)acetic acid
CID 174962889
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-ethyl-2-methylbenzene?
The IUPAC name of acetic acid;1-ethyl-2-methylbenzene (CID 67948051) is acetic acid;1-ethyl-2-methylbenzene.
What is the SMILES notation for acetic acid;1-ethyl-2-methylbenzene?
The canonical SMILES for acetic acid;1-ethyl-2-methylbenzene is CC(=O)O.CCc1ccccc1C.
What is the InChIKey of acetic acid;1-ethyl-2-methylbenzene?
The InChIKey is LVCLYJIOARLCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C2H4O2/c1-3-9-7-5-4-6-8(9)2;1-2(3)4/h4-7H,3H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-ethyl-2-methylbenzene?
acetic acid;1-ethyl-2-methylbenzene has a molecular weight of 180.25 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-ethyl-2-methylbenzene is sourced from PubChem (CID 67948051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).