[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-hydroxybenzoate

C19H26O5 — CID 5134139

IUPAC[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-hydroxybenzoate
SMILESCC1CCC(C(C)C)C(OC(=O)COC(=O)c2ccc(O)cc2)C1
InChIInChI=1S/C19H26O5/c1-12(2)16-9-4-13(3)10-17(16)24-18(21)11-23-19(22)14-5-7-15(20)8-6-14/h5-8,12-13,16-17,20H,4,9-11H2,1-3H3
InChIKeyZAGWDQBPYVNQDV-UHFFFAOYSA-N
MW334.41 g/mol
LogP3.55
Rot. Bonds5

About [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-hydroxybenzoate

[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-hydroxybenzoate (PubChem CID 5134139) has the molecular formula C19H26O5 and a molecular weight of 334.41 g/mol. Its IUPAC name is [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-hydroxybenzoate
PubChem CID5134139
Molecular FormulaC19H26O5
Molecular Weight334.41 g/mol
Exact Mass334.18
IUPAC Name[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-hydroxybenzoate
SMILESCC1CCC(C(C)C)C(OC(=O)COC(=O)c2ccc(O)cc2)C1
InChIInChI=1S/C19H26O5/c1-12(2)16-9-4-13(3)10-17(16)24-18(21)11-23-19(22)14-5-7-15(20)8-6-14/h5-8,12-13,16-17,20H,4,9-11H2,1-3H3
InChIKeyZAGWDQBPYVNQDV-UHFFFAOYSA-N
XLogP3.55
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-hydroxybenzoate?
The IUPAC name of [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-hydroxybenzoate (CID 5134139) is [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-hydroxybenzoate is CC1CCC(C(C)C)C(OC(=O)COC(=O)c2ccc(O)cc2)C1.
What is the InChIKey of [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-hydroxybenzoate?
The InChIKey is ZAGWDQBPYVNQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O5/c1-12(2)16-9-4-13(3)10-17(16)24-18(21)11-23-19(22)14-5-7-15(20)8-6-14/h5-8,12-13,16-17,20H,4,9-11H2,1-3H3.
What are the key properties of [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-hydroxybenzoate?
[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-hydroxybenzoate has a molecular weight of 334.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-hydroxybenzoate is sourced from PubChem (CID 5134139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).