3-(5-methyl-2-propan-2-ylphenoxy)benzoic acid

C17H18O3 — CID 63943066

IUPAC3-(5-methyl-2-propan-2-ylphenoxy)benzoic acid
SMILESCc1ccc(C(C)C)c(Oc2cccc(C(=O)O)c2)c1
InChIInChI=1S/C17H18O3/c1-11(2)15-8-7-12(3)9-16(15)20-14-6-4-5-13(10-14)17(18)19/h4-11H,1-3H3,(H,18,19)
InChIKeyDDYHYSIKTYXGNC-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.61
Rot. Bonds4

About 3-(5-methyl-2-propan-2-ylphenoxy)benzoic acid

3-(5-methyl-2-propan-2-ylphenoxy)benzoic acid (PubChem CID 63943066) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(5-methyl-2-propan-2-ylphenoxy)benzoic acid.

Molecular Properties

Compound Name3-(5-methyl-2-propan-2-ylphenoxy)benzoic acid
PubChem CID63943066
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name3-(5-methyl-2-propan-2-ylphenoxy)benzoic acid
SMILESCc1ccc(C(C)C)c(Oc2cccc(C(=O)O)c2)c1
InChIInChI=1S/C17H18O3/c1-11(2)15-8-7-12(3)9-16(15)20-14-6-4-5-13(10-14)17(18)19/h4-11H,1-3H3,(H,18,19)
InChIKeyDDYHYSIKTYXGNC-UHFFFAOYSA-N
XLogP4.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]oxybenzoic acid
CID 54854693
3-(2-bromo-4-methylphenoxy)benzoic acid
CID 63941894
2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzoic acid
CID 63515238
2-amino-5-(5-methyl-2-propan-2-ylphenoxy)benzamide
CID 61311722
methyl 3-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]oxybenzoate
CID 7751819
2-(3-chlorophenoxy)-4-methylbenzoic acid
CID 55107381
3-bromo-4-(3-methylphenoxy)benzoic acid
CID 82801842
4-(5-methyl-2-propan-2-ylphenoxy)benzaldehyde
CID 22685102
4-methyl-1-phenoxy-2-propan-2-ylbenzene
CID 54452186
3-methoxy-4-propan-2-ylbenzoic acid
CID 20750185
3-methylbenzoic acid
CID 7418
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenoxyphenyl)acetamide
CID 7935802

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-propan-2-ylphenoxy)benzoic acid?
The IUPAC name of 3-(5-methyl-2-propan-2-ylphenoxy)benzoic acid (CID 63943066) is 3-(5-methyl-2-propan-2-ylphenoxy)benzoic acid.
What is the SMILES notation for 3-(5-methyl-2-propan-2-ylphenoxy)benzoic acid?
The canonical SMILES for 3-(5-methyl-2-propan-2-ylphenoxy)benzoic acid is Cc1ccc(C(C)C)c(Oc2cccc(C(=O)O)c2)c1.
What is the InChIKey of 3-(5-methyl-2-propan-2-ylphenoxy)benzoic acid?
The InChIKey is DDYHYSIKTYXGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-11(2)15-8-7-12(3)9-16(15)20-14-6-4-5-13(10-14)17(18)19/h4-11H,1-3H3,(H,18,19).
What are the key properties of 3-(5-methyl-2-propan-2-ylphenoxy)benzoic acid?
3-(5-methyl-2-propan-2-ylphenoxy)benzoic acid has a molecular weight of 270.33 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-propan-2-ylphenoxy)benzoic acid is sourced from PubChem (CID 63943066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).