3-tert-butyl-5-cyclopentyl-4-hydroxybenzoic acid

C16H22O3 — CID 3022312

IUPAC3-tert-butyl-5-cyclopentyl-4-hydroxybenzoic acid
SMILESCC(C)(C)c1cc(C(=O)O)cc(C2CCCC2)c1O
InChIInChI=1S/C16H22O3/c1-16(2,3)13-9-11(15(18)19)8-12(14(13)17)10-6-4-5-7-10/h8-10,17H,4-7H2,1-3H3,(H,18,19)
InChIKeyRMAAIZNPBRPHRL-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.05
Rot. Bonds2

About 3-tert-butyl-5-cyclopentyl-4-hydroxybenzoic acid

3-tert-butyl-5-cyclopentyl-4-hydroxybenzoic acid (PubChem CID 3022312) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-tert-butyl-5-cyclopentyl-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-tert-butyl-5-cyclopentyl-4-hydroxybenzoic acid
PubChem CID3022312
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name3-tert-butyl-5-cyclopentyl-4-hydroxybenzoic acid
SMILESCC(C)(C)c1cc(C(=O)O)cc(C2CCCC2)c1O
InChIInChI=1S/C16H22O3/c1-16(2,3)13-9-11(15(18)19)8-12(14(13)17)10-6-4-5-7-10/h8-10,17H,4-7H2,1-3H3,(H,18,19)
InChIKeyRMAAIZNPBRPHRL-UHFFFAOYSA-N
XLogP4.05
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-cyclopentyl-4-hydroxybenzoic acid?
The IUPAC name of 3-tert-butyl-5-cyclopentyl-4-hydroxybenzoic acid (CID 3022312) is 3-tert-butyl-5-cyclopentyl-4-hydroxybenzoic acid.
What is the SMILES notation for 3-tert-butyl-5-cyclopentyl-4-hydroxybenzoic acid?
The canonical SMILES for 3-tert-butyl-5-cyclopentyl-4-hydroxybenzoic acid is CC(C)(C)c1cc(C(=O)O)cc(C2CCCC2)c1O.
What is the InChIKey of 3-tert-butyl-5-cyclopentyl-4-hydroxybenzoic acid?
The InChIKey is RMAAIZNPBRPHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-16(2,3)13-9-11(15(18)19)8-12(14(13)17)10-6-4-5-7-10/h8-10,17H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 3-tert-butyl-5-cyclopentyl-4-hydroxybenzoic acid?
3-tert-butyl-5-cyclopentyl-4-hydroxybenzoic acid has a molecular weight of 262.35 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-cyclopentyl-4-hydroxybenzoic acid is sourced from PubChem (CID 3022312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).