4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane

C14H23NO2 — CID 143589151

IUPAC4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane
SMILESC/N=C(\C)c1cc(C(C)C)c(O)cc1O.CC
InChIInChI=1S/C12H17NO2.C2H6/c1-7(2)9-5-10(8(3)13-4)12(15)6-11(9)14;1-2/h5-7,14-15H,1-4H3;1-2H3/b13-8+;
InChIKeyZXBDSNFMMHCELQ-FNXZNAJJSA-N
MW237.34 g/mol
LogP3.69
Rot. Bonds2

About 4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane

4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane (PubChem CID 143589151) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane.

Molecular Properties

Compound Name4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane
PubChem CID143589151
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane
SMILESC/N=C(\C)c1cc(C(C)C)c(O)cc1O.CC
InChIInChI=1S/C12H17NO2.C2H6/c1-7(2)9-5-10(8(3)13-4)12(15)6-11(9)14;1-2/h5-7,14-15H,1-4H3;1-2H3/b13-8+;
InChIKeyZXBDSNFMMHCELQ-FNXZNAJJSA-N
XLogP3.69
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-but-2-en-2-yl]-6-propan-2-ylbenzene-1,3-diol
CID 143589079
N-[(E)-1-(2-hydroxy-4-methyl-5-propan-2-ylphenyl)ethylideneamino]ethanethioamide
CID 172958915
4-nitroso-6-propan-2-ylbenzene-1,3-diol
CID 146350171
ethane;2-propan-2-ylbenzene-1,4-diol
CID 142526046
[5-[[C-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-methylcarbonimidoyl]-(1-sulfanylethenyl)amino]-2-hydroxyphenyl]-methyl-propylazanium
CID 143661401
(2,4-dihydroxyphenyl)-(2,4-dihydroxy-5-propan-2-ylbenzenecarbothioyl)sulfinylmethanethione
CID 136503436
1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethanone;4-pentan-2-ylbenzene-1,3-diol
CID 143777978
(2,4-dihydroxy-5-propan-2-ylphenyl)-(5-methyl-1,3-dihydroisoindol-2-yl)methanone;ethane
CID 176552228
methyl 4-hydroxy-2-methoxy-5-propan-2-ylbenzoate
CID 58236464
4-hydroxy-2-methyl-5-propan-2-ylbenzohydrazide
CID 83386284
4-chloro-5-methyl-2-propan-2-ylphenol
CID 160599975
2,4-dihydroxy-5-propan-2-yl-N'-[4-(pyridin-4-ylmethyl)phenyl]benzenecarboximidamide;hydroxylamine
CID 145159953

Frequently Asked Questions

What is the IUPAC name of 4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane?
The IUPAC name of 4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane (CID 143589151) is 4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane.
What is the SMILES notation for 4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane?
The canonical SMILES for 4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane is C/N=C(\C)c1cc(C(C)C)c(O)cc1O.CC.
What is the InChIKey of 4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane?
The InChIKey is ZXBDSNFMMHCELQ-FNXZNAJJSA-N. The full InChI is InChI=1S/C12H17NO2.C2H6/c1-7(2)9-5-10(8(3)13-4)12(15)6-11(9)14;1-2/h5-7,14-15H,1-4H3;1-2H3/b13-8+;.
What are the key properties of 4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane?
4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane has a molecular weight of 237.34 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(C,N-dimethylcarbonimidoyl)-6-propan-2-ylbenzene-1,3-diol;ethane is sourced from PubChem (CID 143589151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).