1-[1,1-bis(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzene

C25H28O2 — CID 170262798

IUPAC1-[1,1-bis(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzene
SMILESCOc1ccc(C(c2ccc(C)cc2)(c2ccc(OC)cc2)C(C)C)cc1
InChIInChI=1S/C25H28O2/c1-18(2)25(20-8-6-19(3)7-9-20,21-10-14-23(26-4)15-11-21)22-12-16-24(27-5)17-13-22/h6-18H,1-5H3
InChIKeyBNVQZXYMEUYAGV-UHFFFAOYSA-N
MW360.50 g/mol
LogP6.00
Rot. Bonds6

About 1-[1,1-bis(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzene

1-[1,1-bis(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzene (PubChem CID 170262798) has the molecular formula C25H28O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[1,1-bis(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[1,1-bis(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzene
PubChem CID170262798
Molecular FormulaC25H28O2
Molecular Weight360.50 g/mol
Exact Mass360.21
IUPAC Name1-[1,1-bis(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzene
SMILESCOc1ccc(C(c2ccc(C)cc2)(c2ccc(OC)cc2)C(C)C)cc1
InChIInChI=1S/C25H28O2/c1-18(2)25(20-8-6-19(3)7-9-20,21-10-14-23(26-4)15-11-21)22-12-16-24(27-5)17-13-22/h6-18H,1-5H3
InChIKeyBNVQZXYMEUYAGV-UHFFFAOYSA-N
XLogP6.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methane;1-methoxy-4-[1-(4-methoxyphenyl)-2-methyl-1-phenylpropyl]benzene
CID 158331426
1-(113C)methoxy-4-methylbenzene
CID 166176950
(2R)-1-(4-methoxyphenyl)-2,3-dimethyl-1-(4-methylphenyl)butan-1-amine
CID 158522454
1-methoxy-4-[2-methyl-1-[4-(2-methyl-1,1,1-triphenylpropan-2-yl)phenyl]-1-phenylpropyl]benzene
CID 155021469
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
1-methoxy-4-[1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl]-1-(4-methylphenyl)ethyl]benzene
CID 118446717
1-methoxy-4-methylbenzene;propane
CID 142064987
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
N-[4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-bis[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 161292893
(Z)-but-2-ene;1-methoxy-4-methylbenzene
CID 143799535
1-methoxy-4-methylbenzene tritetrafluoroborate
CID 175186018
4-methoxyphenol;4-methylphenol
CID 158312507

Frequently Asked Questions

What is the IUPAC name of 1-[1,1-bis(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzene?
The IUPAC name of 1-[1,1-bis(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzene (CID 170262798) is 1-[1,1-bis(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzene.
What is the SMILES notation for 1-[1,1-bis(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzene?
The canonical SMILES for 1-[1,1-bis(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzene is COc1ccc(C(c2ccc(C)cc2)(c2ccc(OC)cc2)C(C)C)cc1.
What is the InChIKey of 1-[1,1-bis(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzene?
The InChIKey is BNVQZXYMEUYAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O2/c1-18(2)25(20-8-6-19(3)7-9-20,21-10-14-23(26-4)15-11-21)22-12-16-24(27-5)17-13-22/h6-18H,1-5H3.
What are the key properties of 1-[1,1-bis(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzene?
1-[1,1-bis(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzene has a molecular weight of 360.50 g/mol, XLogP of 6.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-bis(4-methoxyphenyl)-2-methylpropyl]-4-methylbenzene is sourced from PubChem (CID 170262798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).