(3-cyclohexyl-4,5-diethyl-2-hydroxyphenyl) hydrogen carbonate

C17H24O4 — CID 87859267

IUPAC(3-cyclohexyl-4,5-diethyl-2-hydroxyphenyl) hydrogen carbonate
SMILESCCc1cc(OC(=O)O)c(O)c(C2CCCCC2)c1CC
InChIInChI=1S/C17H24O4/c1-3-11-10-14(21-17(19)20)16(18)15(13(11)4-2)12-8-6-5-7-9-12/h10,12,18H,3-9H2,1-2H3,(H,19,20)
InChIKeyUZFNDKXZIKWDIG-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.62
Rot. Bonds4

About (3-cyclohexyl-4,5-diethyl-2-hydroxyphenyl) hydrogen carbonate

(3-cyclohexyl-4,5-diethyl-2-hydroxyphenyl) hydrogen carbonate (PubChem CID 87859267) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3-cyclohexyl-4,5-diethyl-2-hydroxyphenyl) hydrogen carbonate.

Molecular Properties

Compound Name(3-cyclohexyl-4,5-diethyl-2-hydroxyphenyl) hydrogen carbonate
PubChem CID87859267
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name(3-cyclohexyl-4,5-diethyl-2-hydroxyphenyl) hydrogen carbonate
SMILESCCc1cc(OC(=O)O)c(O)c(C2CCCCC2)c1CC
InChIInChI=1S/C17H24O4/c1-3-11-10-14(21-17(19)20)16(18)15(13(11)4-2)12-8-6-5-7-9-12/h10,12,18H,3-9H2,1-2H3,(H,19,20)
InChIKeyUZFNDKXZIKWDIG-UHFFFAOYSA-N
XLogP4.62
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyl-4,5-diethyl-2-hydroxyphenyl) hydrogen carbonate?
The IUPAC name of (3-cyclohexyl-4,5-diethyl-2-hydroxyphenyl) hydrogen carbonate (CID 87859267) is (3-cyclohexyl-4,5-diethyl-2-hydroxyphenyl) hydrogen carbonate.
What is the SMILES notation for (3-cyclohexyl-4,5-diethyl-2-hydroxyphenyl) hydrogen carbonate?
The canonical SMILES for (3-cyclohexyl-4,5-diethyl-2-hydroxyphenyl) hydrogen carbonate is CCc1cc(OC(=O)O)c(O)c(C2CCCCC2)c1CC.
What is the InChIKey of (3-cyclohexyl-4,5-diethyl-2-hydroxyphenyl) hydrogen carbonate?
The InChIKey is UZFNDKXZIKWDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-3-11-10-14(21-17(19)20)16(18)15(13(11)4-2)12-8-6-5-7-9-12/h10,12,18H,3-9H2,1-2H3,(H,19,20).
What are the key properties of (3-cyclohexyl-4,5-diethyl-2-hydroxyphenyl) hydrogen carbonate?
(3-cyclohexyl-4,5-diethyl-2-hydroxyphenyl) hydrogen carbonate has a molecular weight of 292.38 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-4,5-diethyl-2-hydroxyphenyl) hydrogen carbonate is sourced from PubChem (CID 87859267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).