5-butan-2-yl-3-cyclohexyl-2-hydroxybenzoic acid

C17H24O3 — CID 151162451

IUPAC5-butan-2-yl-3-cyclohexyl-2-hydroxybenzoic acid
SMILESCCC(C)c1cc(C(=O)O)c(O)c(C2CCCCC2)c1
InChIInChI=1S/C17H24O3/c1-3-11(2)13-9-14(12-7-5-4-6-8-12)16(18)15(10-13)17(19)20/h9-12,18H,3-8H2,1-2H3,(H,19,20)
InChIKeyNANZPUDPLXUCNW-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.65
Rot. Bonds4

About 5-butan-2-yl-3-cyclohexyl-2-hydroxybenzoic acid

5-butan-2-yl-3-cyclohexyl-2-hydroxybenzoic acid (PubChem CID 151162451) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-butan-2-yl-3-cyclohexyl-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-butan-2-yl-3-cyclohexyl-2-hydroxybenzoic acid
PubChem CID151162451
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name5-butan-2-yl-3-cyclohexyl-2-hydroxybenzoic acid
SMILESCCC(C)c1cc(C(=O)O)c(O)c(C2CCCCC2)c1
InChIInChI=1S/C17H24O3/c1-3-11(2)13-9-14(12-7-5-4-6-8-12)16(18)15(10-13)17(19)20/h9-12,18H,3-8H2,1-2H3,(H,19,20)
InChIKeyNANZPUDPLXUCNW-UHFFFAOYSA-N
XLogP4.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-cyclohexyl-2-hydroxybenzoic acid?
The IUPAC name of 5-butan-2-yl-3-cyclohexyl-2-hydroxybenzoic acid (CID 151162451) is 5-butan-2-yl-3-cyclohexyl-2-hydroxybenzoic acid.
What is the SMILES notation for 5-butan-2-yl-3-cyclohexyl-2-hydroxybenzoic acid?
The canonical SMILES for 5-butan-2-yl-3-cyclohexyl-2-hydroxybenzoic acid is CCC(C)c1cc(C(=O)O)c(O)c(C2CCCCC2)c1.
What is the InChIKey of 5-butan-2-yl-3-cyclohexyl-2-hydroxybenzoic acid?
The InChIKey is NANZPUDPLXUCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-3-11(2)13-9-14(12-7-5-4-6-8-12)16(18)15(10-13)17(19)20/h9-12,18H,3-8H2,1-2H3,(H,19,20).
What are the key properties of 5-butan-2-yl-3-cyclohexyl-2-hydroxybenzoic acid?
5-butan-2-yl-3-cyclohexyl-2-hydroxybenzoic acid has a molecular weight of 276.38 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-cyclohexyl-2-hydroxybenzoic acid is sourced from PubChem (CID 151162451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).