1,3-dimethoxy-5-(2-propan-2-yloxyethoxy)benzene

C13H20O4 — CID 89483792

IUPAC1,3-dimethoxy-5-(2-propan-2-yloxyethoxy)benzene
SMILESCOc1cc(OC)cc(OCCOC(C)C)c1
InChIInChI=1S/C13H20O4/c1-10(2)16-5-6-17-13-8-11(14-3)7-12(9-13)15-4/h7-10H,5-6H2,1-4H3
InChIKeyUNJHMHMZDKKCIA-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.51
Rot. Bonds7

About 1,3-dimethoxy-5-(2-propan-2-yloxyethoxy)benzene

1,3-dimethoxy-5-(2-propan-2-yloxyethoxy)benzene (PubChem CID 89483792) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1,3-dimethoxy-5-(2-propan-2-yloxyethoxy)benzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-(2-propan-2-yloxyethoxy)benzene
PubChem CID89483792
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1,3-dimethoxy-5-(2-propan-2-yloxyethoxy)benzene
SMILESCOc1cc(OC)cc(OCCOC(C)C)c1
InChIInChI=1S/C13H20O4/c1-10(2)16-5-6-17-13-8-11(14-3)7-12(9-13)15-4/h7-10H,5-6H2,1-4H3
InChIKeyUNJHMHMZDKKCIA-UHFFFAOYSA-N
XLogP2.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3,5-dimethoxyphenoxy)pentan-2-amine
CID 55137875
1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene
CID 59177626
[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 54957551
1-(chloromethyl)-4-methoxy-2-(2-propan-2-yloxyethoxy)benzene
CID 54958015
2-(3,5-dimethoxyphenoxy)ethanethiol;ethane
CID 144886217
1-(3-bromopropoxy)-3,5-dimethoxybenzene
CID 12959383
[3-bromo-5-(2-propan-2-yloxyethoxy)phenyl]methanamine
CID 102814524
4-(3,5-dimethoxyphenoxy)-N-ethylbutan-2-amine
CID 55135933
1-chloro-3-(2-propan-2-yloxyethoxy)benzene
CID 60643608
1-(2-propan-2-yloxyethoxy)-3-[[3-(2-propan-2-yloxyethoxy)phenyl]methyl]benzene
CID 153498414
5-(3,5-dimethoxyphenoxy)pentanenitrile
CID 55025373
1-ethyl-4-(2-propan-2-yloxyethoxy)benzene
CID 60643723

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-(2-propan-2-yloxyethoxy)benzene?
The IUPAC name of 1,3-dimethoxy-5-(2-propan-2-yloxyethoxy)benzene (CID 89483792) is 1,3-dimethoxy-5-(2-propan-2-yloxyethoxy)benzene.
What is the SMILES notation for 1,3-dimethoxy-5-(2-propan-2-yloxyethoxy)benzene?
The canonical SMILES for 1,3-dimethoxy-5-(2-propan-2-yloxyethoxy)benzene is COc1cc(OC)cc(OCCOC(C)C)c1.
What is the InChIKey of 1,3-dimethoxy-5-(2-propan-2-yloxyethoxy)benzene?
The InChIKey is UNJHMHMZDKKCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-10(2)16-5-6-17-13-8-11(14-3)7-12(9-13)15-4/h7-10H,5-6H2,1-4H3.
What are the key properties of 1,3-dimethoxy-5-(2-propan-2-yloxyethoxy)benzene?
1,3-dimethoxy-5-(2-propan-2-yloxyethoxy)benzene has a molecular weight of 240.30 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-(2-propan-2-yloxyethoxy)benzene is sourced from PubChem (CID 89483792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).