2-[(2-chlorophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene

C25H27ClO6 — CID 46896091

IUPAC2-[(2-chlorophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene
SMILESCOc1cc(OC)c(C(c2ccccc2Cl)c2c(OC)cc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C25H27ClO6/c1-27-15-11-19(29-3)24(20(12-15)30-4)23(17-9-7-8-10-18(17)26)25-21(31-5)13-16(28-2)14-22(25)32-6/h7-14,23H,1-6H3
InChIKeyPDAZSXFPGCAPNX-UHFFFAOYSA-N
MW458.94 g/mol
LogP5.57
Rot. Bonds9

About 2-[(2-chlorophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene

2-[(2-chlorophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene (PubChem CID 46896091) has the molecular formula C25H27ClO6 and a molecular weight of 458.94 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene.

Molecular Properties

Compound Name2-[(2-chlorophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene
PubChem CID46896091
Molecular FormulaC25H27ClO6
Molecular Weight458.94 g/mol
Exact Mass458.15
IUPAC Name2-[(2-chlorophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene
SMILESCOc1cc(OC)c(C(c2ccccc2Cl)c2c(OC)cc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C25H27ClO6/c1-27-15-11-19(29-3)24(20(12-15)30-4)23(17-9-7-8-10-18(17)26)25-21(31-5)13-16(28-2)14-22(25)32-6/h7-14,23H,1-6H3
InChIKeyPDAZSXFPGCAPNX-UHFFFAOYSA-N
XLogP5.57
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.94
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[(5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methyl]-1-methoxybenzene
CID 56601836
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 43197194
2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene
CID 91355849
(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 54880557
(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61100473
2-[bromo(phenyl)methyl]-1,3,5-trimethoxybenzene
CID 61095892
2-[bromo-(2-methylphenyl)methyl]-1,3,5-trimethoxybenzene
CID 61096492
(2-chlorophenyl)-(3-methoxyphenyl)methanamine;hydrochloride
CID 54595163
(2-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 63895830
(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methanol
CID 61081100
1,3,5-trimethoxy-2-[phenoxy(phenyl)methyl]benzene
CID 162411633
3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline
CID 43079492

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene?
The IUPAC name of 2-[(2-chlorophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene (CID 46896091) is 2-[(2-chlorophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene.
What is the SMILES notation for 2-[(2-chlorophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene?
The canonical SMILES for 2-[(2-chlorophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene is COc1cc(OC)c(C(c2ccccc2Cl)c2c(OC)cc(OC)cc2OC)c(OC)c1.
What is the InChIKey of 2-[(2-chlorophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene?
The InChIKey is PDAZSXFPGCAPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClO6/c1-27-15-11-19(29-3)24(20(12-15)30-4)23(17-9-7-8-10-18(17)26)25-21(31-5)13-16(28-2)14-22(25)32-6/h7-14,23H,1-6H3.
What are the key properties of 2-[(2-chlorophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene?
2-[(2-chlorophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene has a molecular weight of 458.94 g/mol, XLogP of 5.57, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene is sourced from PubChem (CID 46896091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).