4-(2-methylpropoxy)-2-propan-2-ylbenzoic acid

C14H20O3 — CID 155925871

IUPAC4-(2-methylpropoxy)-2-propan-2-ylbenzoic acid
SMILESCC(C)COc1ccc(C(=O)O)c(C(C)C)c1
InChIInChI=1S/C14H20O3/c1-9(2)8-17-11-5-6-12(14(15)16)13(7-11)10(3)4/h5-7,9-10H,8H2,1-4H3,(H,15,16)
InChIKeyBYEZQOXKQFUASN-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.54
Rot. Bonds5

About 4-(2-methylpropoxy)-2-propan-2-ylbenzoic acid

4-(2-methylpropoxy)-2-propan-2-ylbenzoic acid (PubChem CID 155925871) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-2-propan-2-ylbenzoic acid.

Molecular Properties

Compound Name4-(2-methylpropoxy)-2-propan-2-ylbenzoic acid
PubChem CID155925871
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4-(2-methylpropoxy)-2-propan-2-ylbenzoic acid
SMILESCC(C)COc1ccc(C(=O)O)c(C(C)C)c1
InChIInChI=1S/C14H20O3/c1-9(2)8-17-11-5-6-12(14(15)16)13(7-11)10(3)4/h5-7,9-10H,8H2,1-4H3,(H,15,16)
InChIKeyBYEZQOXKQFUASN-UHFFFAOYSA-N
XLogP3.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-4-(2-methylpropoxy)benzoic acid
CID 154092894
4-phenylmethoxy-2-propan-2-ylbenzoic acid
CID 23134235
2-propan-2-yl-4-tri(propan-2-yl)silyloxybenzoic acid
CID 90905151
2-(1-bromoethyl)-4-ethoxybenzoic acid
CID 175301760
1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 20716286
2-[2-(1-carboxy-3-methylbutyl)-4-(2-methylpropoxy)phenyl]-4-methylpentanoic acid
CID 150500133
2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid
CID 10709345
3-[2-methyl-4-(2-methylpropoxy)phenyl]butanoic acid
CID 83958510
5-[2-methyl-4-(2-methylpropoxy)phenyl]-5-oxopentanoic acid
CID 82264546
4-(2-aminopropoxy)-2-chlorobenzoic acid
CID 167724006
[2-hydroxy-4-(2-methylpropoxy)phenyl]-[4-(2-methylpropoxy)phenyl]methanone
CID 141021495
2-(1-chloro-2-oxopropyl)-4-ethoxybenzoic acid
CID 170837498

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-2-propan-2-ylbenzoic acid?
The IUPAC name of 4-(2-methylpropoxy)-2-propan-2-ylbenzoic acid (CID 155925871) is 4-(2-methylpropoxy)-2-propan-2-ylbenzoic acid.
What is the SMILES notation for 4-(2-methylpropoxy)-2-propan-2-ylbenzoic acid?
The canonical SMILES for 4-(2-methylpropoxy)-2-propan-2-ylbenzoic acid is CC(C)COc1ccc(C(=O)O)c(C(C)C)c1.
What is the InChIKey of 4-(2-methylpropoxy)-2-propan-2-ylbenzoic acid?
The InChIKey is BYEZQOXKQFUASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-9(2)8-17-11-5-6-12(14(15)16)13(7-11)10(3)4/h5-7,9-10H,8H2,1-4H3,(H,15,16).
What are the key properties of 4-(2-methylpropoxy)-2-propan-2-ylbenzoic acid?
4-(2-methylpropoxy)-2-propan-2-ylbenzoic acid has a molecular weight of 236.31 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-2-propan-2-ylbenzoic acid is sourced from PubChem (CID 155925871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).