benzene-1,4-diol;ethyl carbamate;methoxymethane

C11H19NO5 — CID 174872836

IUPACbenzene-1,4-diol;ethyl carbamate;methoxymethane
SMILESCCOC(N)=O.COC.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.C3H7NO2.C2H6O/c7-5-1-2-6(8)4-3-5;1-2-6-3(4)5;1-3-2/h1-4,7-8H;2H2,1H3,(H2,4,5);1-2H3
InChIKeyREGOPAHRBZOMFA-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.46
Rot. Bonds1

About benzene-1,4-diol;ethyl carbamate;methoxymethane

benzene-1,4-diol;ethyl carbamate;methoxymethane (PubChem CID 174872836) has the molecular formula C11H19NO5 and a molecular weight of 245.28 g/mol. Its IUPAC name is benzene-1,4-diol;ethyl carbamate;methoxymethane.

Molecular Properties

Compound Namebenzene-1,4-diol;ethyl carbamate;methoxymethane
PubChem CID174872836
Molecular FormulaC11H19NO5
Molecular Weight245.28 g/mol
Exact Mass245.13
IUPAC Namebenzene-1,4-diol;ethyl carbamate;methoxymethane
SMILESCCOC(N)=O.COC.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.C3H7NO2.C2H6O/c7-5-1-2-6(8)4-3-5;1-2-6-3(4)5;1-3-2/h1-4,7-8H;2H2,1H3,(H2,4,5);1-2H3
InChIKeyREGOPAHRBZOMFA-UHFFFAOYSA-N
XLogP1.46
TPSA102.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl carbamate
CID 161409576
ethyl carbamate
CID 21202847
ethyl carbamate
CID 158786750
CID 173388727
CID 173388727
anthracene;ethyl carbamate
CID 174381530
ethyl 2-(4-hydroxyphenyl)-2-oxoacetate
CID 11715332
boric acid;ethyl carbamate
CID 161179489
ethyl 4-(4-hydroxyphenyl)sulfanylbenzoate
CID 91879838
phenol;propyl carbamate
CID 174701394
ethyl carbamate;bis(2-methylprop-1-ene)
CID 159122273
carbonothioic O,S-acid;ethyl carbamate
CID 87891814
acetaldehyde;ethyl carbamate
CID 23340289

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;ethyl carbamate;methoxymethane?
The IUPAC name of benzene-1,4-diol;ethyl carbamate;methoxymethane (CID 174872836) is benzene-1,4-diol;ethyl carbamate;methoxymethane.
What is the SMILES notation for benzene-1,4-diol;ethyl carbamate;methoxymethane?
The canonical SMILES for benzene-1,4-diol;ethyl carbamate;methoxymethane is CCOC(N)=O.COC.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;ethyl carbamate;methoxymethane?
The InChIKey is REGOPAHRBZOMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C3H7NO2.C2H6O/c7-5-1-2-6(8)4-3-5;1-2-6-3(4)5;1-3-2/h1-4,7-8H;2H2,1H3,(H2,4,5);1-2H3.
What are the key properties of benzene-1,4-diol;ethyl carbamate;methoxymethane?
benzene-1,4-diol;ethyl carbamate;methoxymethane has a molecular weight of 245.28 g/mol, XLogP of 1.46, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;ethyl carbamate;methoxymethane is sourced from PubChem (CID 174872836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).