2-(2-propan-2-ylphenyl)acetic acid;hydrochloride

C11H15ClO2 — CID 70396456

IUPAC2-(2-propan-2-ylphenyl)acetic acid;hydrochloride
SMILESCC(C)c1ccccc1CC(=O)O.Cl
InChIInChI=1S/C11H14O2.ClH/c1-8(2)10-6-4-3-5-9(10)7-11(12)13;/h3-6,8H,7H2,1-2H3,(H,12,13);1H
InChIKeyRDXVIVPPFQSPTN-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.86
Rot. Bonds3

About 2-(2-propan-2-ylphenyl)acetic acid;hydrochloride

2-(2-propan-2-ylphenyl)acetic acid;hydrochloride (PubChem CID 70396456) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 2-(2-propan-2-ylphenyl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(2-propan-2-ylphenyl)acetic acid;hydrochloride
PubChem CID70396456
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name2-(2-propan-2-ylphenyl)acetic acid;hydrochloride
SMILESCC(C)c1ccccc1CC(=O)O.Cl
InChIInChI=1S/C11H14O2.ClH/c1-8(2)10-6-4-3-5-9(10)7-11(12)13;/h3-6,8H,7H2,1-2H3,(H,12,13);1H
InChIKeyRDXVIVPPFQSPTN-UHFFFAOYSA-N
XLogP2.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(2-propan-2-ylphenyl)propan-2-one
CID 21115419
2-(2-propan-2-ylphenyl)acetamide
CID 22163985
4-(2-propan-2-ylphenyl)butanoic acid
CID 58591852
N-hydroxy-2-(2-propan-2-ylphenyl)acetamide
CID 142619078
2-[2-(dihydroxymethyl)phenyl]acetic acid
CID 178118262
(E)-2-methyl-3-[(2-propan-2-ylphenyl)methyl]but-2-enedioic acid
CID 67831354
2-[2-(1-hydroxy-3-methylbutyl)phenyl]acetic acid
CID 105479177
2-[2-(1-chloro-2-oxopropyl)phenyl]acetic acid
CID 131474693
N-methyl-N-propan-2-yl-2-(2-propan-2-ylphenyl)acetamide
CID 59961759
3-methyl-2-[(2-propan-2-ylphenyl)methyl]butanoic acid
CID 58683416
1-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]benzene
CID 15068594
CID 173166794
CID 173166794

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylphenyl)acetic acid;hydrochloride?
The IUPAC name of 2-(2-propan-2-ylphenyl)acetic acid;hydrochloride (CID 70396456) is 2-(2-propan-2-ylphenyl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(2-propan-2-ylphenyl)acetic acid;hydrochloride?
The canonical SMILES for 2-(2-propan-2-ylphenyl)acetic acid;hydrochloride is CC(C)c1ccccc1CC(=O)O.Cl.
What is the InChIKey of 2-(2-propan-2-ylphenyl)acetic acid;hydrochloride?
The InChIKey is RDXVIVPPFQSPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.ClH/c1-8(2)10-6-4-3-5-9(10)7-11(12)13;/h3-6,8H,7H2,1-2H3,(H,12,13);1H.
What are the key properties of 2-(2-propan-2-ylphenyl)acetic acid;hydrochloride?
2-(2-propan-2-ylphenyl)acetic acid;hydrochloride has a molecular weight of 214.69 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylphenyl)acetic acid;hydrochloride is sourced from PubChem (CID 70396456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).