1-methoxy-4-[1,1,3-tris(4-methoxyphenyl)propyl]benzene

C31H32O4 — CID 22900338

IUPAC1-methoxy-4-[1,1,3-tris(4-methoxyphenyl)propyl]benzene
SMILESCOc1ccc(CCC(c2ccc(OC)cc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H32O4/c1-32-27-13-5-23(6-14-27)21-22-31(24-7-15-28(33-2)16-8-24,25-9-17-29(34-3)18-10-25)26-11-19-30(35-4)20-12-26/h5-20H,21-22H2,1-4H3
InChIKeyLAMSRQVIQRJILG-UHFFFAOYSA-N
MW468.59 g/mol
LogP6.69
Rot. Bonds10

About 1-methoxy-4-[1,1,3-tris(4-methoxyphenyl)propyl]benzene

1-methoxy-4-[1,1,3-tris(4-methoxyphenyl)propyl]benzene (PubChem CID 22900338) has the molecular formula C31H32O4 and a molecular weight of 468.59 g/mol. Its IUPAC name is 1-methoxy-4-[1,1,3-tris(4-methoxyphenyl)propyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[1,1,3-tris(4-methoxyphenyl)propyl]benzene
PubChem CID22900338
Molecular FormulaC31H32O4
Molecular Weight468.59 g/mol
Exact Mass468.23
IUPAC Name1-methoxy-4-[1,1,3-tris(4-methoxyphenyl)propyl]benzene
SMILESCOc1ccc(CCC(c2ccc(OC)cc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H32O4/c1-32-27-13-5-23(6-14-27)21-22-31(24-7-15-28(33-2)16-8-24,25-9-17-29(34-3)18-10-25)26-11-19-30(35-4)20-12-26/h5-20H,21-22H2,1-4H3
InChIKeyLAMSRQVIQRJILG-UHFFFAOYSA-N
XLogP6.69
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.59
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[1,1,3-tris(4-methylphenyl)propyl]benzene
CID 59427035
ethane;1-methoxy-4-propylbenzene
CID 142085762
N-ethyl-4-(4-methoxyphenyl)-2,2-dimethylbutan-1-amine
CID 65308504
4-[2-hydroxy-4-(4-methoxyphenyl)butan-2-yl]benzonitrile
CID 115481604
1-[1,3-bis(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]propan-2-yl]-4-methoxybenzene
CID 71248389
1-methoxy-4-[(4-propylphenyl)methyl]benzene
CID 67608407
ethanamine;1-methoxy-4-propylbenzene
CID 19382800
1-(6,6-dimethyloctyl)-4-methoxybenzene
CID 54371242
2-N-ethyl-4-(4-methoxyphenyl)-2-N,2-dimethylbutane-1,2-diamine
CID 54878009
3-(ethylamino)-5-(4-methoxyphenyl)-3-methylpentan-1-ol
CID 65235107
1-(4-methoxyphenyl)-4,4-dimethylhexan-3-one
CID 114974365
(2S)-2-amino-4-(4-methoxyphenyl)-2-methylbutanoic acid
CID 93380969

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[1,1,3-tris(4-methoxyphenyl)propyl]benzene?
The IUPAC name of 1-methoxy-4-[1,1,3-tris(4-methoxyphenyl)propyl]benzene (CID 22900338) is 1-methoxy-4-[1,1,3-tris(4-methoxyphenyl)propyl]benzene.
What is the SMILES notation for 1-methoxy-4-[1,1,3-tris(4-methoxyphenyl)propyl]benzene?
The canonical SMILES for 1-methoxy-4-[1,1,3-tris(4-methoxyphenyl)propyl]benzene is COc1ccc(CCC(c2ccc(OC)cc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[1,1,3-tris(4-methoxyphenyl)propyl]benzene?
The InChIKey is LAMSRQVIQRJILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32O4/c1-32-27-13-5-23(6-14-27)21-22-31(24-7-15-28(33-2)16-8-24,25-9-17-29(34-3)18-10-25)26-11-19-30(35-4)20-12-26/h5-20H,21-22H2,1-4H3.
What are the key properties of 1-methoxy-4-[1,1,3-tris(4-methoxyphenyl)propyl]benzene?
1-methoxy-4-[1,1,3-tris(4-methoxyphenyl)propyl]benzene has a molecular weight of 468.59 g/mol, XLogP of 6.69, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[1,1,3-tris(4-methoxyphenyl)propyl]benzene is sourced from PubChem (CID 22900338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).