3,5-dimethylbenzoic acid

C9H10O2 — CID 10356

IUPAC3,5-dimethylbenzoic acid
SMILESCc1cc(C)cc(C(=O)O)c1
InChIInChI=1S/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChIKeyUMVOQQDNEYOJOK-UHFFFAOYSA-N
MW150.18 g/mol
LogP2.00
Rot. Bonds1

About 3,5-dimethylbenzoic acid

3,5-dimethylbenzoic acid (PubChem CID 10356) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 3,5-dimethylbenzoic acid.

Molecular Properties

Compound Name3,5-dimethylbenzoic acid
PubChem CID10356
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name3,5-dimethylbenzoic acid
SMILESCc1cc(C)cc(C(=O)O)c1
InChIInChI=1S/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChIKeyUMVOQQDNEYOJOK-UHFFFAOYSA-N
XLogP2.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylbenzoic acid?
The IUPAC name of 3,5-dimethylbenzoic acid (CID 10356) is 3,5-dimethylbenzoic acid.
What is the SMILES notation for 3,5-dimethylbenzoic acid?
The canonical SMILES for 3,5-dimethylbenzoic acid is Cc1cc(C)cc(C(=O)O)c1.
What is the InChIKey of 3,5-dimethylbenzoic acid?
The InChIKey is UMVOQQDNEYOJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H,10,11).
What are the key properties of 3,5-dimethylbenzoic acid?
3,5-dimethylbenzoic acid has a molecular weight of 150.18 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylbenzoic acid is sourced from PubChem (CID 10356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).