2-(3-methyl-4-propan-2-ylphenoxy)benzoic acid

C17H18O3 — CID 29047649

IUPAC2-(3-methyl-4-propan-2-ylphenoxy)benzoic acid
SMILESCc1cc(Oc2ccccc2C(=O)O)ccc1C(C)C
InChIInChI=1S/C17H18O3/c1-11(2)14-9-8-13(10-12(14)3)20-16-7-5-4-6-15(16)17(18)19/h4-11H,1-3H3,(H,18,19)
InChIKeyBYFZAKKOTRLPLT-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.61
Rot. Bonds4

About 2-(3-methyl-4-propan-2-ylphenoxy)benzoic acid

2-(3-methyl-4-propan-2-ylphenoxy)benzoic acid (PubChem CID 29047649) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylphenoxy)benzoic acid.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylphenoxy)benzoic acid
PubChem CID29047649
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-(3-methyl-4-propan-2-ylphenoxy)benzoic acid
SMILESCc1cc(Oc2ccccc2C(=O)O)ccc1C(C)C
InChIInChI=1S/C17H18O3/c1-11(2)14-9-8-13(10-12(14)3)20-16-7-5-4-6-15(16)17(18)19/h4-11H,1-3H3,(H,18,19)
InChIKeyBYFZAKKOTRLPLT-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

2-phenoxybenzoic acid;propan-2-ol
CID 159883753
2-methyl-4-(2-methylphenoxy)benzoic acid
CID 62135465
2-(2-methyl-4-propan-2-ylphenoxy)benzoic acid
CID 175986634
2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47095242
[2-(4-hydroxy-3-methylphenoxy)phenyl]-phenylmethanone
CID 67943677
2-methyl-3-[3-(3-methyl-4-propan-2-ylphenoxy)-2-oxopropyl]benzoic acid
CID 58156966
2-hydroxy-4-(2-methylphenoxy)benzoic acid
CID 164975487
2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzoic acid
CID 63515238
6-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyrimidine-4-carboxylic acid
CID 107554670
1,2-difluoro-4-methyl-5-(3-methyl-4-propan-2-ylphenoxy)benzene
CID 177076482
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
2-(4-amino-3-fluorophenoxy)benzoic acid
CID 175103965

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)benzoic acid?
The IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)benzoic acid (CID 29047649) is 2-(3-methyl-4-propan-2-ylphenoxy)benzoic acid.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylphenoxy)benzoic acid?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylphenoxy)benzoic acid is Cc1cc(Oc2ccccc2C(=O)O)ccc1C(C)C.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylphenoxy)benzoic acid?
The InChIKey is BYFZAKKOTRLPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-11(2)14-9-8-13(10-12(14)3)20-16-7-5-4-6-15(16)17(18)19/h4-11H,1-3H3,(H,18,19).
What are the key properties of 2-(3-methyl-4-propan-2-ylphenoxy)benzoic acid?
2-(3-methyl-4-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 2-(3-methyl-4-propan-2-ylphenoxy)benzoic acid is sourced from PubChem (CID 29047649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).