4-propan-2-ylbenzoic acid;hydrochloride

C10H13ClO2 — CID 70157848

IUPAC4-propan-2-ylbenzoic acid;hydrochloride
SMILESCC(C)c1ccc(C(=O)O)cc1.Cl
InChIInChI=1S/C10H12O2.ClH/c1-7(2)8-3-5-9(6-4-8)10(11)12;/h3-7H,1-2H3,(H,11,12);1H
InChIKeyHSLYDQOMQQFIKQ-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.93
Rot. Bonds2

About 4-propan-2-ylbenzoic acid;hydrochloride

4-propan-2-ylbenzoic acid;hydrochloride (PubChem CID 70157848) has the molecular formula C10H13ClO2 and a molecular weight of 200.67 g/mol. Its IUPAC name is 4-propan-2-ylbenzoic acid;hydrochloride.

Molecular Properties

Compound Name4-propan-2-ylbenzoic acid;hydrochloride
PubChem CID70157848
Molecular FormulaC10H13ClO2
Molecular Weight200.67 g/mol
Exact Mass200.06
IUPAC Name4-propan-2-ylbenzoic acid;hydrochloride
SMILESCC(C)c1ccc(C(=O)O)cc1.Cl
InChIInChI=1S/C10H12O2.ClH/c1-7(2)8-3-5-9(6-4-8)10(11)12;/h3-7H,1-2H3,(H,11,12);1H
InChIKeyHSLYDQOMQQFIKQ-UHFFFAOYSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylbenzoic acid;hydrochloride?
The IUPAC name of 4-propan-2-ylbenzoic acid;hydrochloride (CID 70157848) is 4-propan-2-ylbenzoic acid;hydrochloride.
What is the SMILES notation for 4-propan-2-ylbenzoic acid;hydrochloride?
The canonical SMILES for 4-propan-2-ylbenzoic acid;hydrochloride is CC(C)c1ccc(C(=O)O)cc1.Cl.
What is the InChIKey of 4-propan-2-ylbenzoic acid;hydrochloride?
The InChIKey is HSLYDQOMQQFIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.ClH/c1-7(2)8-3-5-9(6-4-8)10(11)12;/h3-7H,1-2H3,(H,11,12);1H.
What are the key properties of 4-propan-2-ylbenzoic acid;hydrochloride?
4-propan-2-ylbenzoic acid;hydrochloride has a molecular weight of 200.67 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylbenzoic acid;hydrochloride is sourced from PubChem (CID 70157848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).