4-(2-hydrazinylbutan-2-yl)-2-methylphenol

C11H18N2O — CID 144756619

IUPAC4-(2-hydrazinylbutan-2-yl)-2-methylphenol
SMILESCCC(C)(NN)c1ccc(O)c(C)c1
InChIInChI=1S/C11H18N2O/c1-4-11(3,13-12)9-5-6-10(14)8(2)7-9/h5-7,13-14H,4,12H2,1-3H3
InChIKeyPKAMGHOUQLRBQV-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.79
Rot. Bonds3

About 4-(2-hydrazinylbutan-2-yl)-2-methylphenol

4-(2-hydrazinylbutan-2-yl)-2-methylphenol (PubChem CID 144756619) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-(2-hydrazinylbutan-2-yl)-2-methylphenol.

Molecular Properties

Compound Name4-(2-hydrazinylbutan-2-yl)-2-methylphenol
PubChem CID144756619
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-(2-hydrazinylbutan-2-yl)-2-methylphenol
SMILESCCC(C)(NN)c1ccc(O)c(C)c1
InChIInChI=1S/C11H18N2O/c1-4-11(3,13-12)9-5-6-10(14)8(2)7-9/h5-7,13-14H,4,12H2,1-3H3
InChIKeyPKAMGHOUQLRBQV-UHFFFAOYSA-N
XLogP1.79
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-amino-3-methylphenyl)pentan-3-yl]-2-methylphenol
CID 71712304
4-[(2R)-2-aminobutan-2-yl]-2-methylphenol
CID 131037914
carbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium
CID 169320278
ethane;4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenol
CID 142882643
2,2-bis(4-hydroxy-3-methylphenyl)butanoic acid
CID 68969545
4-[1,1-bis(4-hydroxy-3-methylphenyl)pentyl]-2-methylphenol
CID 139775367
4-[2,6-bis(4-hydroxy-3-methylphenyl)-2,6-dimethylheptan-4-yl]-2-methylphenol
CID 141208637
4-(1,7-dichloro-4-methylheptan-4-yl)-2-methylphenol
CID 59180676
4-[2-[3-tert-butyl-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 144899041
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 130296994
4-[2-[3-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 23033100
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-methylphenol
CID 14389009

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydrazinylbutan-2-yl)-2-methylphenol?
The IUPAC name of 4-(2-hydrazinylbutan-2-yl)-2-methylphenol (CID 144756619) is 4-(2-hydrazinylbutan-2-yl)-2-methylphenol.
What is the SMILES notation for 4-(2-hydrazinylbutan-2-yl)-2-methylphenol?
The canonical SMILES for 4-(2-hydrazinylbutan-2-yl)-2-methylphenol is CCC(C)(NN)c1ccc(O)c(C)c1.
What is the InChIKey of 4-(2-hydrazinylbutan-2-yl)-2-methylphenol?
The InChIKey is PKAMGHOUQLRBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-11(3,13-12)9-5-6-10(14)8(2)7-9/h5-7,13-14H,4,12H2,1-3H3.
What are the key properties of 4-(2-hydrazinylbutan-2-yl)-2-methylphenol?
4-(2-hydrazinylbutan-2-yl)-2-methylphenol has a molecular weight of 194.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydrazinylbutan-2-yl)-2-methylphenol is sourced from PubChem (CID 144756619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).