2-chloro-5-[[(4-chloro-3,5-dimethylphenyl)-phenylmethoxy]-phenylmethyl]-1,3-dimethylbenzene

C30H28Cl2O — CID 141380736

IUPAC2-chloro-5-[[(4-chloro-3,5-dimethylphenyl)-phenylmethoxy]-phenylmethyl]-1,3-dimethylbenzene
SMILESCc1cc(C(OC(c2ccccc2)c2cc(C)c(Cl)c(C)c2)c2ccccc2)cc(C)c1Cl
InChIInChI=1S/C30H28Cl2O/c1-19-15-25(16-20(2)27(19)31)29(23-11-7-5-8-12-23)33-30(24-13-9-6-10-14-24)26-17-21(3)28(32)22(4)18-26/h5-18,29-30H,1-4H3
InChIKeyGVGIJZVLDKKLLD-UHFFFAOYSA-N
MW475.46 g/mol
LogP9.12
Rot. Bonds6

About 2-chloro-5-[[(4-chloro-3,5-dimethylphenyl)-phenylmethoxy]-phenylmethyl]-1,3-dimethylbenzene

2-chloro-5-[[(4-chloro-3,5-dimethylphenyl)-phenylmethoxy]-phenylmethyl]-1,3-dimethylbenzene (PubChem CID 141380736) has the molecular formula C30H28Cl2O and a molecular weight of 475.46 g/mol. Its IUPAC name is 2-chloro-5-[[(4-chloro-3,5-dimethylphenyl)-phenylmethoxy]-phenylmethyl]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-chloro-5-[[(4-chloro-3,5-dimethylphenyl)-phenylmethoxy]-phenylmethyl]-1,3-dimethylbenzene
PubChem CID141380736
Molecular FormulaC30H28Cl2O
Molecular Weight475.46 g/mol
Exact Mass474.15
IUPAC Name2-chloro-5-[[(4-chloro-3,5-dimethylphenyl)-phenylmethoxy]-phenylmethyl]-1,3-dimethylbenzene
SMILESCc1cc(C(OC(c2ccccc2)c2cc(C)c(Cl)c(C)c2)c2ccccc2)cc(C)c1Cl
InChIInChI=1S/C30H28Cl2O/c1-19-15-25(16-20(2)27(19)31)29(23-11-7-5-8-12-23)33-30(24-13-9-6-10-14-24)26-17-21(3)28(32)22(4)18-26/h5-18,29-30H,1-4H3
InChIKeyGVGIJZVLDKKLLD-UHFFFAOYSA-N
XLogP9.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.46
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(4-chloro-3,5-dimethylphenyl)-phenylmethoxy]-phenylmethyl]-1,3-dimethylbenzene?
The IUPAC name of 2-chloro-5-[[(4-chloro-3,5-dimethylphenyl)-phenylmethoxy]-phenylmethyl]-1,3-dimethylbenzene (CID 141380736) is 2-chloro-5-[[(4-chloro-3,5-dimethylphenyl)-phenylmethoxy]-phenylmethyl]-1,3-dimethylbenzene.
What is the SMILES notation for 2-chloro-5-[[(4-chloro-3,5-dimethylphenyl)-phenylmethoxy]-phenylmethyl]-1,3-dimethylbenzene?
The canonical SMILES for 2-chloro-5-[[(4-chloro-3,5-dimethylphenyl)-phenylmethoxy]-phenylmethyl]-1,3-dimethylbenzene is Cc1cc(C(OC(c2ccccc2)c2cc(C)c(Cl)c(C)c2)c2ccccc2)cc(C)c1Cl.
What is the InChIKey of 2-chloro-5-[[(4-chloro-3,5-dimethylphenyl)-phenylmethoxy]-phenylmethyl]-1,3-dimethylbenzene?
The InChIKey is GVGIJZVLDKKLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28Cl2O/c1-19-15-25(16-20(2)27(19)31)29(23-11-7-5-8-12-23)33-30(24-13-9-6-10-14-24)26-17-21(3)28(32)22(4)18-26/h5-18,29-30H,1-4H3.
What are the key properties of 2-chloro-5-[[(4-chloro-3,5-dimethylphenyl)-phenylmethoxy]-phenylmethyl]-1,3-dimethylbenzene?
2-chloro-5-[[(4-chloro-3,5-dimethylphenyl)-phenylmethoxy]-phenylmethyl]-1,3-dimethylbenzene has a molecular weight of 475.46 g/mol, XLogP of 9.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(4-chloro-3,5-dimethylphenyl)-phenylmethoxy]-phenylmethyl]-1,3-dimethylbenzene is sourced from PubChem (CID 141380736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).