5-phenyl-2-propan-2-yloxybenzoic acid

C16H16O3 — CID 83969126

IUPAC5-phenyl-2-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1ccc(-c2ccccc2)cc1C(=O)O
InChIInChI=1S/C16H16O3/c1-11(2)19-15-9-8-13(10-14(15)16(17)18)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,17,18)
InChIKeyOAGMSPIIOIPKMB-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.84
Rot. Bonds4

About 5-phenyl-2-propan-2-yloxybenzoic acid

5-phenyl-2-propan-2-yloxybenzoic acid (PubChem CID 83969126) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-phenyl-2-propan-2-yloxybenzoic acid.

Molecular Properties

Compound Name5-phenyl-2-propan-2-yloxybenzoic acid
PubChem CID83969126
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name5-phenyl-2-propan-2-yloxybenzoic acid
SMILESCC(C)Oc1ccc(-c2ccccc2)cc1C(=O)O
InChIInChI=1S/C16H16O3/c1-11(2)19-15-9-8-13(10-14(15)16(17)18)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,17,18)
InChIKeyOAGMSPIIOIPKMB-UHFFFAOYSA-N
XLogP3.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-propan-2-yloxybenzoic acid?
The IUPAC name of 5-phenyl-2-propan-2-yloxybenzoic acid (CID 83969126) is 5-phenyl-2-propan-2-yloxybenzoic acid.
What is the SMILES notation for 5-phenyl-2-propan-2-yloxybenzoic acid?
The canonical SMILES for 5-phenyl-2-propan-2-yloxybenzoic acid is CC(C)Oc1ccc(-c2ccccc2)cc1C(=O)O.
What is the InChIKey of 5-phenyl-2-propan-2-yloxybenzoic acid?
The InChIKey is OAGMSPIIOIPKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11(2)19-15-9-8-13(10-14(15)16(17)18)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,17,18).
What are the key properties of 5-phenyl-2-propan-2-yloxybenzoic acid?
5-phenyl-2-propan-2-yloxybenzoic acid has a molecular weight of 256.30 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-propan-2-yloxybenzoic acid is sourced from PubChem (CID 83969126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).