1-[2-(cyclohexyloxymethoxy)ethyl]-3,4-dimethylpyrrole-2,5-diol

C15H25NO4 — CID 91354255

IUPAC1-[2-(cyclohexyloxymethoxy)ethyl]-3,4-dimethylpyrrole-2,5-diol
SMILESCc1c(C)c(O)n(CCOCOC2CCCCC2)c1O
InChIInChI=1S/C15H25NO4/c1-11-12(2)15(18)16(14(11)17)8-9-19-10-20-13-6-4-3-5-7-13/h13,17-18H,3-10H2,1-2H3
InChIKeyWDPMZBDFCIPMFE-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.84
Rot. Bonds6

About 1-[2-(cyclohexyloxymethoxy)ethyl]-3,4-dimethylpyrrole-2,5-diol

1-[2-(cyclohexyloxymethoxy)ethyl]-3,4-dimethylpyrrole-2,5-diol (PubChem CID 91354255) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[2-(cyclohexyloxymethoxy)ethyl]-3,4-dimethylpyrrole-2,5-diol.

Molecular Properties

Compound Name1-[2-(cyclohexyloxymethoxy)ethyl]-3,4-dimethylpyrrole-2,5-diol
PubChem CID91354255
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-[2-(cyclohexyloxymethoxy)ethyl]-3,4-dimethylpyrrole-2,5-diol
SMILESCc1c(C)c(O)n(CCOCOC2CCCCC2)c1O
InChIInChI=1S/C15H25NO4/c1-11-12(2)15(18)16(14(11)17)8-9-19-10-20-13-6-4-3-5-7-13/h13,17-18H,3-10H2,1-2H3
InChIKeyWDPMZBDFCIPMFE-UHFFFAOYSA-N
XLogP2.84
TPSA63.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,3,3-triiodoprop-2-enoxymethoxycyclohexane
CID 12884029
1-(2-hydroxyethyl)-3,4-dimethylpyrrole-2,5-diol
CID 91300917
5-(chloromethyl)-6-(2-cyclohexyloxyethyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79275981
prop-2-ynoxymethoxycycloundecane
CID 21496345
1-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrole-2,5-diol
CID 90924333
propoxycyclooctane
CID 54078990
(2-methylpropan-2-yl)oxymethoxycyclohexane
CID 15032741
propan-2-yloxymethoxycyclononane
CID 21496351
ethoxycyclooctane
CID 13427982
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
tert-butyl-(cyclohexyloxymethoxy)-dimethylsilane
CID 139783422
1-(cyclohexyloxymethoxy)propan-1-ol
CID 20698641

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexyloxymethoxy)ethyl]-3,4-dimethylpyrrole-2,5-diol?
The IUPAC name of 1-[2-(cyclohexyloxymethoxy)ethyl]-3,4-dimethylpyrrole-2,5-diol (CID 91354255) is 1-[2-(cyclohexyloxymethoxy)ethyl]-3,4-dimethylpyrrole-2,5-diol.
What is the SMILES notation for 1-[2-(cyclohexyloxymethoxy)ethyl]-3,4-dimethylpyrrole-2,5-diol?
The canonical SMILES for 1-[2-(cyclohexyloxymethoxy)ethyl]-3,4-dimethylpyrrole-2,5-diol is Cc1c(C)c(O)n(CCOCOC2CCCCC2)c1O.
What is the InChIKey of 1-[2-(cyclohexyloxymethoxy)ethyl]-3,4-dimethylpyrrole-2,5-diol?
The InChIKey is WDPMZBDFCIPMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-11-12(2)15(18)16(14(11)17)8-9-19-10-20-13-6-4-3-5-7-13/h13,17-18H,3-10H2,1-2H3.
What are the key properties of 1-[2-(cyclohexyloxymethoxy)ethyl]-3,4-dimethylpyrrole-2,5-diol?
1-[2-(cyclohexyloxymethoxy)ethyl]-3,4-dimethylpyrrole-2,5-diol has a molecular weight of 283.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexyloxymethoxy)ethyl]-3,4-dimethylpyrrole-2,5-diol is sourced from PubChem (CID 91354255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).