2-[3,3-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene

C31H32O2 — CID 56978489

IUPAC2-[3,3-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene
SMILESCOc1cccc(OCc2ccccc2)c1CCC(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C31H32O2/c1-23-12-16-26(17-13-23)28(27-18-14-24(2)15-19-27)20-21-29-30(32-3)10-7-11-31(29)33-22-25-8-5-4-6-9-25/h4-19,28H,20-22H2,1-3H3
InChIKeyWCOVZTHYNIBNRA-UHFFFAOYSA-N
MW436.60 g/mol
LogP7.66
Rot. Bonds9

About 2-[3,3-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene

2-[3,3-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene (PubChem CID 56978489) has the molecular formula C31H32O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 2-[3,3-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene.

Molecular Properties

Compound Name2-[3,3-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene
PubChem CID56978489
Molecular FormulaC31H32O2
Molecular Weight436.60 g/mol
Exact Mass436.24
IUPAC Name2-[3,3-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene
SMILESCOc1cccc(OCc2ccccc2)c1CCC(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C31H32O2/c1-23-12-16-26(17-13-23)28(27-18-14-24(2)15-19-27)20-21-29-30(32-3)10-7-11-31(29)33-22-25-8-5-4-6-9-25/h4-19,28H,20-22H2,1-3H3
InChIKeyWCOVZTHYNIBNRA-UHFFFAOYSA-N
XLogP7.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[3,3-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2,2-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene
CID 57143935
(S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol
CID 129384165
CID 144815287
CID 144815287
1-methyl-4-(2-phenylmethoxyphenoxy)benzene
CID 12993342
1-methoxy-2-[(4-phenylphenyl)methoxy]benzene
CID 67858860
2-methoxy-1-(4-methylphenyl)sulfonyl-3-phenylmethoxybenzene
CID 141431918
1-methoxy-3-phenyl-2-phenylmethoxybenzene
CID 11994921
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine
CID 4719341
2,5,8-trimethoxy-1-phenylmethoxynaphthalene
CID 132576199
(1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine
CID 171213002
1-(3-methoxy-2-phenylmethoxyphenyl)butan-1-ol
CID 83951053

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene?
The IUPAC name of 2-[3,3-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene (CID 56978489) is 2-[3,3-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene.
What is the SMILES notation for 2-[3,3-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene?
The canonical SMILES for 2-[3,3-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene is COc1cccc(OCc2ccccc2)c1CCC(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of 2-[3,3-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene?
The InChIKey is WCOVZTHYNIBNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32O2/c1-23-12-16-26(17-13-23)28(27-18-14-24(2)15-19-27)20-21-29-30(32-3)10-7-11-31(29)33-22-25-8-5-4-6-9-25/h4-19,28H,20-22H2,1-3H3.
What are the key properties of 2-[3,3-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene?
2-[3,3-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene has a molecular weight of 436.60 g/mol, XLogP of 7.66, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene is sourced from PubChem (CID 56978489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).