2-cyclopentyl-6-hydroxy-3,4,5-trimethylbenzoic acid

C15H20O3 — CID 88669174

IUPAC2-cyclopentyl-6-hydroxy-3,4,5-trimethylbenzoic acid
SMILESCc1c(C)c(O)c(C(=O)O)c(C2CCCC2)c1C
InChIInChI=1S/C15H20O3/c1-8-9(2)12(11-6-4-5-7-11)13(15(17)18)14(16)10(8)3/h11,16H,4-7H2,1-3H3,(H,17,18)
InChIKeyKFTFFIILFCHTGB-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.67
Rot. Bonds2

About 2-cyclopentyl-6-hydroxy-3,4,5-trimethylbenzoic acid

2-cyclopentyl-6-hydroxy-3,4,5-trimethylbenzoic acid (PubChem CID 88669174) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-cyclopentyl-6-hydroxy-3,4,5-trimethylbenzoic acid.

Molecular Properties

Compound Name2-cyclopentyl-6-hydroxy-3,4,5-trimethylbenzoic acid
PubChem CID88669174
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-cyclopentyl-6-hydroxy-3,4,5-trimethylbenzoic acid
SMILESCc1c(C)c(O)c(C(=O)O)c(C2CCCC2)c1C
InChIInChI=1S/C15H20O3/c1-8-9(2)12(11-6-4-5-7-11)13(15(17)18)14(16)10(8)3/h11,16H,4-7H2,1-3H3,(H,17,18)
InChIKeyKFTFFIILFCHTGB-UHFFFAOYSA-N
XLogP3.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-6-hydroxy-3,4,5-trimethylbenzoic acid?
The IUPAC name of 2-cyclopentyl-6-hydroxy-3,4,5-trimethylbenzoic acid (CID 88669174) is 2-cyclopentyl-6-hydroxy-3,4,5-trimethylbenzoic acid.
What is the SMILES notation for 2-cyclopentyl-6-hydroxy-3,4,5-trimethylbenzoic acid?
The canonical SMILES for 2-cyclopentyl-6-hydroxy-3,4,5-trimethylbenzoic acid is Cc1c(C)c(O)c(C(=O)O)c(C2CCCC2)c1C.
What is the InChIKey of 2-cyclopentyl-6-hydroxy-3,4,5-trimethylbenzoic acid?
The InChIKey is KFTFFIILFCHTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-8-9(2)12(11-6-4-5-7-11)13(15(17)18)14(16)10(8)3/h11,16H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 2-cyclopentyl-6-hydroxy-3,4,5-trimethylbenzoic acid?
2-cyclopentyl-6-hydroxy-3,4,5-trimethylbenzoic acid has a molecular weight of 248.32 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-6-hydroxy-3,4,5-trimethylbenzoic acid is sourced from PubChem (CID 88669174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).