carbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium

C18H23O2Y- — CID 169320278

IUPACcarbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium
SMILESCc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O.[CH3-].[Y]
InChIInChI=1S/C17H20O2.CH3.Y/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14;;/h5-10,18-19H,1-4H3;1H3;/q;-1;
InChIKeyWVGYAFYSLPJBFA-UHFFFAOYSA-N
MW360.29 g/mol
LogP4.49
Rot. Bonds2

About carbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium

carbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium (PubChem CID 169320278) has the molecular formula C18H23O2Y- and a molecular weight of 360.29 g/mol. Its IUPAC name is carbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium.

Molecular Properties

Compound Namecarbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium
PubChem CID169320278
Molecular FormulaC18H23O2Y-
Molecular Weight360.29 g/mol
Exact Mass360.08
IUPAC Namecarbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium
SMILESCc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O.[CH3-].[Y]
InChIInChI=1S/C17H20O2.CH3.Y/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14;;/h5-10,18-19H,1-4H3;1H3;/q;-1;
InChIKeyWVGYAFYSLPJBFA-UHFFFAOYSA-N
XLogP4.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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-[3-tert-butyl-5-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-2-methylphenol
CID 144899041
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-methylphenol
CID 14389009
2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 141474948
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2,6-dimethylphenol;4-[2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylphenol
CID 67024119
4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 159058899
4-[1-(4-hydroxy-3-methylphenyl)-1-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]ethyl]-2-methylphenol
CID 22392546
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]benzene-1,3-diol
CID 139838635
diphenyl carbonate;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 170853175
4-[2-(4-methylphenyl)propan-2-yl]benzene-1,2-diol
CID 125479229
2-methyl-4-(trifluoromethyl)phenol;hydrochloride
CID 172689490

Frequently Asked Questions

What is the IUPAC name of carbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium?
The IUPAC name of carbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium (CID 169320278) is carbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium.
What is the SMILES notation for carbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium?
The canonical SMILES for carbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium is Cc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O.[CH3-].[Y].
What is the InChIKey of carbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium?
The InChIKey is WVGYAFYSLPJBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2.CH3.Y/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14;;/h5-10,18-19H,1-4H3;1H3;/q;-1;.
What are the key properties of carbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium?
carbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium has a molecular weight of 360.29 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;yttrium is sourced from PubChem (CID 169320278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).