1-chloro-2-[[(2-chloro-5-methylphenyl)-(4-methoxyphenyl)methoxy]-(4-methoxyphenyl)methyl]-4-methylbenzene

C30H28Cl2O3 — CID 22151238

IUPAC1-chloro-2-[[(2-chloro-5-methylphenyl)-(4-methoxyphenyl)methoxy]-(4-methoxyphenyl)methyl]-4-methylbenzene
SMILESCOc1ccc(C(OC(c2ccc(OC)cc2)c2cc(C)ccc2Cl)c2cc(C)ccc2Cl)cc1
InChIInChI=1S/C30H28Cl2O3/c1-19-5-15-27(31)25(17-19)29(21-7-11-23(33-3)12-8-21)35-30(22-9-13-24(34-4)14-10-22)26-18-20(2)6-16-28(26)32/h5-18,29-30H,1-4H3
InChIKeyXGOSVXWAEYTBBU-UHFFFAOYSA-N
MW507.46 g/mol
LogP8.52
Rot. Bonds8

About 1-chloro-2-[[(2-chloro-5-methylphenyl)-(4-methoxyphenyl)methoxy]-(4-methoxyphenyl)methyl]-4-methylbenzene

1-chloro-2-[[(2-chloro-5-methylphenyl)-(4-methoxyphenyl)methoxy]-(4-methoxyphenyl)methyl]-4-methylbenzene (PubChem CID 22151238) has the molecular formula C30H28Cl2O3 and a molecular weight of 507.46 g/mol. Its IUPAC name is 1-chloro-2-[[(2-chloro-5-methylphenyl)-(4-methoxyphenyl)methoxy]-(4-methoxyphenyl)methyl]-4-methylbenzene.

Molecular Properties

Compound Name1-chloro-2-[[(2-chloro-5-methylphenyl)-(4-methoxyphenyl)methoxy]-(4-methoxyphenyl)methyl]-4-methylbenzene
PubChem CID22151238
Molecular FormulaC30H28Cl2O3
Molecular Weight507.46 g/mol
Exact Mass506.14
IUPAC Name1-chloro-2-[[(2-chloro-5-methylphenyl)-(4-methoxyphenyl)methoxy]-(4-methoxyphenyl)methyl]-4-methylbenzene
SMILESCOc1ccc(C(OC(c2ccc(OC)cc2)c2cc(C)ccc2Cl)c2cc(C)ccc2Cl)cc1
InChIInChI=1S/C30H28Cl2O3/c1-19-5-15-27(31)25(17-19)29(21-7-11-23(33-3)12-8-21)35-30(22-9-13-24(34-4)14-10-22)26-18-20(2)6-16-28(26)32/h5-18,29-30H,1-4H3
InChIKeyXGOSVXWAEYTBBU-UHFFFAOYSA-N
XLogP8.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.46
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-methylphenyl)-(4-methoxyphenyl)methanamine
CID 106856981
4-bromo-2-[bromo-(4-methoxyphenyl)methyl]-1-chlorobenzene
CID 63437208
2-[bromo-(4-methoxyphenyl)methyl]-1,4-dichlorobenzene
CID 63436956
2-(2-chloro-5-methylanilino)-1-(4-methoxyphenyl)ethanol
CID 107634665
1-[bromo-(4-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 55197646
1,2-dichlorobenzene;1-methoxy-4-methylbenzene
CID 158750380
1-(113C)methoxy-4-methylbenzene
CID 166176950
1-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)ethanol
CID 106863705
1-[bromo-(2,5-dimethylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 63443615
[(2-chloro-5-fluorophenyl)-(4-methoxyphenyl)methyl]hydrazine
CID 105397726
1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 51340411
2-chloro-1-[chloro-(4-methoxyphenyl)methyl]-4-fluorobenzene
CID 63429186

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[[(2-chloro-5-methylphenyl)-(4-methoxyphenyl)methoxy]-(4-methoxyphenyl)methyl]-4-methylbenzene?
The IUPAC name of 1-chloro-2-[[(2-chloro-5-methylphenyl)-(4-methoxyphenyl)methoxy]-(4-methoxyphenyl)methyl]-4-methylbenzene (CID 22151238) is 1-chloro-2-[[(2-chloro-5-methylphenyl)-(4-methoxyphenyl)methoxy]-(4-methoxyphenyl)methyl]-4-methylbenzene.
What is the SMILES notation for 1-chloro-2-[[(2-chloro-5-methylphenyl)-(4-methoxyphenyl)methoxy]-(4-methoxyphenyl)methyl]-4-methylbenzene?
The canonical SMILES for 1-chloro-2-[[(2-chloro-5-methylphenyl)-(4-methoxyphenyl)methoxy]-(4-methoxyphenyl)methyl]-4-methylbenzene is COc1ccc(C(OC(c2ccc(OC)cc2)c2cc(C)ccc2Cl)c2cc(C)ccc2Cl)cc1.
What is the InChIKey of 1-chloro-2-[[(2-chloro-5-methylphenyl)-(4-methoxyphenyl)methoxy]-(4-methoxyphenyl)methyl]-4-methylbenzene?
The InChIKey is XGOSVXWAEYTBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28Cl2O3/c1-19-5-15-27(31)25(17-19)29(21-7-11-23(33-3)12-8-21)35-30(22-9-13-24(34-4)14-10-22)26-18-20(2)6-16-28(26)32/h5-18,29-30H,1-4H3.
What are the key properties of 1-chloro-2-[[(2-chloro-5-methylphenyl)-(4-methoxyphenyl)methoxy]-(4-methoxyphenyl)methyl]-4-methylbenzene?
1-chloro-2-[[(2-chloro-5-methylphenyl)-(4-methoxyphenyl)methoxy]-(4-methoxyphenyl)methyl]-4-methylbenzene has a molecular weight of 507.46 g/mol, XLogP of 8.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[[(2-chloro-5-methylphenyl)-(4-methoxyphenyl)methoxy]-(4-methoxyphenyl)methyl]-4-methylbenzene is sourced from PubChem (CID 22151238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).