1-methyl-4-(1-phenylcyclohexyl)benzene;yttrium

C19H21Y- — CID 58534635

IUPAC1-methyl-4-(1-phenylcyclohexyl)benzene;yttrium
SMILESCc1ccc(C2(c3cc[c-]cc3)CCCCC2)cc1.[Y]
InChIInChI=1S/C19H21.Y/c1-16-10-12-18(13-11-16)19(14-6-3-7-15-19)17-8-4-2-5-9-17;/h4-5,8-13H,3,6-7,14-15H2,1H3;/q-1;
InChIKeyVVSGKUNJNOVNHL-UHFFFAOYSA-N
MW338.28 g/mol
LogP5.04
Rot. Bonds2

About 1-methyl-4-(1-phenylcyclohexyl)benzene;yttrium

1-methyl-4-(1-phenylcyclohexyl)benzene;yttrium (PubChem CID 58534635) has the molecular formula C19H21Y- and a molecular weight of 338.28 g/mol. Its IUPAC name is 1-methyl-4-(1-phenylcyclohexyl)benzene;yttrium.

Molecular Properties

Compound Name1-methyl-4-(1-phenylcyclohexyl)benzene;yttrium
PubChem CID58534635
Molecular FormulaC19H21Y-
Molecular Weight338.28 g/mol
Exact Mass338.07
IUPAC Name1-methyl-4-(1-phenylcyclohexyl)benzene;yttrium
SMILESCc1ccc(C2(c3cc[c-]cc3)CCCCC2)cc1.[Y]
InChIInChI=1S/C19H21.Y/c1-16-10-12-18(13-11-16)19(14-6-3-7-15-19)17-8-4-2-5-9-17;/h4-5,8-13H,3,6-7,14-15H2,1H3;/q-1;
InChIKeyVVSGKUNJNOVNHL-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.28
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene
CID 123671518
4-methyl-N,N-bis(4-methylphenyl)aniline;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline
CID 87837292
ethane;4-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)aniline
CID 156728878
4-methyl-N-[4-[1-[4-(4-methyl-N-[4-(4-methylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-(4-methylphenyl)phenyl]aniline
CID 58312147
4-methyl-N-[4-[1-[4-(4-methyl-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]cyclohexyl]phenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline
CID 68590819
4-[1-(4-chlorophenyl)cyclohexyl]pyridine
CID 70867486
ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol
CID 144989464
4-[2-(3,5-dimethylphenyl)-4-methylphenyl]-N-[4-[1-[4-[4-[2-(3,5-dimethylphenyl)-4-methylphenyl]-N-[4-[2-(3,5-dimethylphenyl)-5-methylphenyl]phenyl]anilino]phenyl]cyclohexyl]phenyl]-N-[4-[2-(3,5-dimethylphenyl)-5-methylphenyl]phenyl]aniline
CID 161215317
ethane;methylbenzene;yttrium
CID 158556230
methane;methylbenzene;yttrium
CID 160876865
methane;methylbenzene;yttrium
CID 158936681
(1S,6S)-1,6-bis(4-methylphenyl)bicyclo[4.2.0]octane
CID 15247724

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-phenylcyclohexyl)benzene;yttrium?
The IUPAC name of 1-methyl-4-(1-phenylcyclohexyl)benzene;yttrium (CID 58534635) is 1-methyl-4-(1-phenylcyclohexyl)benzene;yttrium.
What is the SMILES notation for 1-methyl-4-(1-phenylcyclohexyl)benzene;yttrium?
The canonical SMILES for 1-methyl-4-(1-phenylcyclohexyl)benzene;yttrium is Cc1ccc(C2(c3cc[c-]cc3)CCCCC2)cc1.[Y].
What is the InChIKey of 1-methyl-4-(1-phenylcyclohexyl)benzene;yttrium?
The InChIKey is VVSGKUNJNOVNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21.Y/c1-16-10-12-18(13-11-16)19(14-6-3-7-15-19)17-8-4-2-5-9-17;/h4-5,8-13H,3,6-7,14-15H2,1H3;/q-1;.
What are the key properties of 1-methyl-4-(1-phenylcyclohexyl)benzene;yttrium?
1-methyl-4-(1-phenylcyclohexyl)benzene;yttrium has a molecular weight of 338.28 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-phenylcyclohexyl)benzene;yttrium is sourced from PubChem (CID 58534635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).