1-(2,2-dimethylpropyl)-4-[1-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropyl]benzene

C29H36O — CID 135291592

IUPAC1-(2,2-dimethylpropyl)-4-[1-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropyl]benzene
SMILESCOc1ccc(C(c2ccccc2)(c2ccc(CC(C)(C)C)cc2)C(C)(C)C)cc1
InChIInChI=1S/C29H36O/c1-27(2,3)21-22-13-15-24(16-14-22)29(28(4,5)6,23-11-9-8-10-12-23)25-17-19-26(30-7)20-18-25/h8-20H,21H2,1-7H3
InChIKeyFAACJULUUSUNPA-UHFFFAOYSA-N
MW400.61 g/mol
LogP7.66
Rot. Bonds5

About 1-(2,2-dimethylpropyl)-4-[1-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropyl]benzene

1-(2,2-dimethylpropyl)-4-[1-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropyl]benzene (PubChem CID 135291592) has the molecular formula C29H36O and a molecular weight of 400.61 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-[1-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropyl]benzene.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-[1-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropyl]benzene
PubChem CID135291592
Molecular FormulaC29H36O
Molecular Weight400.61 g/mol
Exact Mass400.28
IUPAC Name1-(2,2-dimethylpropyl)-4-[1-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropyl]benzene
SMILESCOc1ccc(C(c2ccccc2)(c2ccc(CC(C)(C)C)cc2)C(C)(C)C)cc1
InChIInChI=1S/C29H36O/c1-27(2,3)21-22-13-15-24(16-14-22)29(28(4,5)6,23-11-9-8-10-12-23)25-17-19-26(30-7)20-18-25/h8-20H,21H2,1-7H3
InChIKeyFAACJULUUSUNPA-UHFFFAOYSA-N
XLogP7.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.61
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-[1,3-bis(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]propan-2-yl]-4-methoxybenzene
CID 71248389
1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092
(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
CID 93047943
[4-[1-(4-methoxyphenyl)-2-phenylbut-3-en-2-yl]phenyl] 2,2-dimethylpropanoate
CID 89454247
1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407
2-(4-methoxyphenyl)-1-phenylbutan-2-ol
CID 79008309
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
(4-methoxyphenyl)-diphenylmethanamine
CID 21477757
[bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane
CID 174814552
N-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]benzamide
CID 2270387
2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
CID 12559074
(2R)-2,3-bis(4-methoxyphenyl)-2-methylpropanenitrile
CID 129389679

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-[1-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropyl]benzene?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-[1-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropyl]benzene (CID 135291592) is 1-(2,2-dimethylpropyl)-4-[1-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropyl]benzene.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-[1-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropyl]benzene?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-[1-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropyl]benzene is COc1ccc(C(c2ccccc2)(c2ccc(CC(C)(C)C)cc2)C(C)(C)C)cc1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-[1-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropyl]benzene?
The InChIKey is FAACJULUUSUNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36O/c1-27(2,3)21-22-13-15-24(16-14-22)29(28(4,5)6,23-11-9-8-10-12-23)25-17-19-26(30-7)20-18-25/h8-20H,21H2,1-7H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-[1-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropyl]benzene?
1-(2,2-dimethylpropyl)-4-[1-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropyl]benzene has a molecular weight of 400.61 g/mol, XLogP of 7.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-[1-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropyl]benzene is sourced from PubChem (CID 135291592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).