1-(4-methylcyclohexyl)-4-phenylbenzene;yttrium(3+)

C19H21Y+2 — CID 18720903

IUPAC1-(4-methylcyclohexyl)-4-phenylbenzene;yttrium(3+)
SMILESCC1CCC(c2ccc(-c3cc[c-]cc3)cc2)CC1.[Y+3]
InChIInChI=1S/C19H21.Y/c1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16;/h3-6,11-15,17H,7-10H2,1H3;/q-1;+3
InChIKeyCFDVHADIDWRYLO-UHFFFAOYSA-N
MW338.28 g/mol
LogP5.44
Rot. Bonds2

About 1-(4-methylcyclohexyl)-4-phenylbenzene;yttrium(3+)

1-(4-methylcyclohexyl)-4-phenylbenzene;yttrium(3+) (PubChem CID 18720903) has the molecular formula C19H21Y+2 and a molecular weight of 338.28 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-4-phenylbenzene;yttrium(3+).

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-4-phenylbenzene;yttrium(3+)
PubChem CID18720903
Molecular FormulaC19H21Y+2
Molecular Weight338.28 g/mol
Exact Mass338.07
IUPAC Name1-(4-methylcyclohexyl)-4-phenylbenzene;yttrium(3+)
SMILESCC1CCC(c2ccc(-c3cc[c-]cc3)cc2)CC1.[Y+3]
InChIInChI=1S/C19H21.Y/c1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16;/h3-6,11-15,17H,7-10H2,1H3;/q-1;+3
InChIKeyCFDVHADIDWRYLO-UHFFFAOYSA-N
XLogP5.44
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 ≤ 55.44
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

(4-methylcyclohexyl)benzene;yttrium(3+)
CID 18720907
(4-methylcyclohexyl)benzene;bis(yttrium)
CID 18720966
1-(4-methylcyclohexyl)-4-phenylbenzene
CID 18720904
1-(4-methylcyclohexyl)-4-(4-phenylbutyl)benzene;yttrium(3+)
CID 18720895
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601
nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
CID 135033819
1-[difluoro(phenoxy)methyl]-4-(4-methylcyclohexyl)benzene;yttrium(3+)
CID 18720938
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]aniline
CID 143115116
1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 20538184
1-bromo-4-(4-methylcyclohexyl)benzene
CID 21137228

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-4-phenylbenzene;yttrium(3+)?
The IUPAC name of 1-(4-methylcyclohexyl)-4-phenylbenzene;yttrium(3+) (CID 18720903) is 1-(4-methylcyclohexyl)-4-phenylbenzene;yttrium(3+).
What is the SMILES notation for 1-(4-methylcyclohexyl)-4-phenylbenzene;yttrium(3+)?
The canonical SMILES for 1-(4-methylcyclohexyl)-4-phenylbenzene;yttrium(3+) is CC1CCC(c2ccc(-c3cc[c-]cc3)cc2)CC1.[Y+3].
What is the InChIKey of 1-(4-methylcyclohexyl)-4-phenylbenzene;yttrium(3+)?
The InChIKey is CFDVHADIDWRYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21.Y/c1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16;/h3-6,11-15,17H,7-10H2,1H3;/q-1;+3.
What are the key properties of 1-(4-methylcyclohexyl)-4-phenylbenzene;yttrium(3+)?
1-(4-methylcyclohexyl)-4-phenylbenzene;yttrium(3+) has a molecular weight of 338.28 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-4-phenylbenzene;yttrium(3+) is sourced from PubChem (CID 18720903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).