2-(3,5-dimethylphenyl)acetic acid;ethane

C12H18O2 — CID 143170600

IUPAC2-(3,5-dimethylphenyl)acetic acid;ethane
SMILESCC.Cc1cc(C)cc(CC(=O)O)c1
InChIInChI=1S/C10H12O2.C2H6/c1-7-3-8(2)5-9(4-7)6-10(11)12;1-2/h3-5H,6H2,1-2H3,(H,11,12);1-2H3
InChIKeyBEHDODMJDZRXOS-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.96
Rot. Bonds2

About 2-(3,5-dimethylphenyl)acetic acid;ethane

2-(3,5-dimethylphenyl)acetic acid;ethane (PubChem CID 143170600) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)acetic acid;ethane.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)acetic acid;ethane
PubChem CID143170600
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-(3,5-dimethylphenyl)acetic acid;ethane
SMILESCC.Cc1cc(C)cc(CC(=O)O)c1
InChIInChI=1S/C10H12O2.C2H6/c1-7-3-8(2)5-9(4-7)6-10(11)12;1-2/h3-5H,6H2,1-2H3,(H,11,12);1-2H3
InChIKeyBEHDODMJDZRXOS-UHFFFAOYSA-N
XLogP2.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)acetic acid;ethane?
The IUPAC name of 2-(3,5-dimethylphenyl)acetic acid;ethane (CID 143170600) is 2-(3,5-dimethylphenyl)acetic acid;ethane.
What is the SMILES notation for 2-(3,5-dimethylphenyl)acetic acid;ethane?
The canonical SMILES for 2-(3,5-dimethylphenyl)acetic acid;ethane is CC.Cc1cc(C)cc(CC(=O)O)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)acetic acid;ethane?
The InChIKey is BEHDODMJDZRXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C2H6/c1-7-3-8(2)5-9(4-7)6-10(11)12;1-2/h3-5H,6H2,1-2H3,(H,11,12);1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)acetic acid;ethane?
2-(3,5-dimethylphenyl)acetic acid;ethane has a molecular weight of 194.27 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)acetic acid;ethane is sourced from PubChem (CID 143170600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).