2-[[2-(dibutoxymethyl)phenyl]methoxy]-1,4-dimethylbenzene

C24H34O3 — CID 67069190

IUPAC2-[[2-(dibutoxymethyl)phenyl]methoxy]-1,4-dimethylbenzene
SMILESCCCCOC(OCCCC)c1ccccc1COc1cc(C)ccc1C
InChIInChI=1S/C24H34O3/c1-5-7-15-25-24(26-16-8-6-2)22-12-10-9-11-21(22)18-27-23-17-19(3)13-14-20(23)4/h9-14,17,24H,5-8,15-16,18H2,1-4H3
InChIKeyYVRNDQDBASZQGN-UHFFFAOYSA-N
MW370.53 g/mol
LogP6.51
Rot. Bonds12

About 2-[[2-(dibutoxymethyl)phenyl]methoxy]-1,4-dimethylbenzene

2-[[2-(dibutoxymethyl)phenyl]methoxy]-1,4-dimethylbenzene (PubChem CID 67069190) has the molecular formula C24H34O3 and a molecular weight of 370.53 g/mol. Its IUPAC name is 2-[[2-(dibutoxymethyl)phenyl]methoxy]-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-[[2-(dibutoxymethyl)phenyl]methoxy]-1,4-dimethylbenzene
PubChem CID67069190
Molecular FormulaC24H34O3
Molecular Weight370.53 g/mol
Exact Mass370.25
IUPAC Name2-[[2-(dibutoxymethyl)phenyl]methoxy]-1,4-dimethylbenzene
SMILESCCCCOC(OCCCC)c1ccccc1COc1cc(C)ccc1C
InChIInChI=1S/C24H34O3/c1-5-7-15-25-24(26-16-8-6-2)22-12-10-9-11-21(22)18-27-23-17-19(3)13-14-20(23)4/h9-14,17,24H,5-8,15-16,18H2,1-4H3
InChIKeyYVRNDQDBASZQGN-UHFFFAOYSA-N
XLogP6.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dibutoxymethyl)phenyl]methoxy]-1,4-dimethylbenzene?
The IUPAC name of 2-[[2-(dibutoxymethyl)phenyl]methoxy]-1,4-dimethylbenzene (CID 67069190) is 2-[[2-(dibutoxymethyl)phenyl]methoxy]-1,4-dimethylbenzene.
What is the SMILES notation for 2-[[2-(dibutoxymethyl)phenyl]methoxy]-1,4-dimethylbenzene?
The canonical SMILES for 2-[[2-(dibutoxymethyl)phenyl]methoxy]-1,4-dimethylbenzene is CCCCOC(OCCCC)c1ccccc1COc1cc(C)ccc1C.
What is the InChIKey of 2-[[2-(dibutoxymethyl)phenyl]methoxy]-1,4-dimethylbenzene?
The InChIKey is YVRNDQDBASZQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O3/c1-5-7-15-25-24(26-16-8-6-2)22-12-10-9-11-21(22)18-27-23-17-19(3)13-14-20(23)4/h9-14,17,24H,5-8,15-16,18H2,1-4H3.
What are the key properties of 2-[[2-(dibutoxymethyl)phenyl]methoxy]-1,4-dimethylbenzene?
2-[[2-(dibutoxymethyl)phenyl]methoxy]-1,4-dimethylbenzene has a molecular weight of 370.53 g/mol, XLogP of 6.51, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dibutoxymethyl)phenyl]methoxy]-1,4-dimethylbenzene is sourced from PubChem (CID 67069190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).