1-methoxy-3-[3-(2-propan-2-ylphenoxy)propoxy]benzene

C19H24O3 — CID 2251897

IUPAC1-methoxy-3-[3-(2-propan-2-ylphenoxy)propoxy]benzene
SMILESCOc1cccc(OCCCOc2ccccc2C(C)C)c1
InChIInChI=1S/C19H24O3/c1-15(2)18-10-4-5-11-19(18)22-13-7-12-21-17-9-6-8-16(14-17)20-3/h4-6,8-11,14-15H,7,12-13H2,1-3H3
InChIKeyXYTJQKLUZCHNST-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.67
Rot. Bonds8

About 1-methoxy-3-[3-(2-propan-2-ylphenoxy)propoxy]benzene

1-methoxy-3-[3-(2-propan-2-ylphenoxy)propoxy]benzene (PubChem CID 2251897) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-methoxy-3-[3-(2-propan-2-ylphenoxy)propoxy]benzene.

Molecular Properties

Compound Name1-methoxy-3-[3-(2-propan-2-ylphenoxy)propoxy]benzene
PubChem CID2251897
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name1-methoxy-3-[3-(2-propan-2-ylphenoxy)propoxy]benzene
SMILESCOc1cccc(OCCCOc2ccccc2C(C)C)c1
InChIInChI=1S/C19H24O3/c1-15(2)18-10-4-5-11-19(18)22-13-7-12-21-17-9-6-8-16(14-17)20-3/h4-6,8-11,14-15H,7,12-13H2,1-3H3
InChIKeyXYTJQKLUZCHNST-UHFFFAOYSA-N
XLogP4.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[3-(2-propan-2-ylphenoxy)propoxy]benzene?
The IUPAC name of 1-methoxy-3-[3-(2-propan-2-ylphenoxy)propoxy]benzene (CID 2251897) is 1-methoxy-3-[3-(2-propan-2-ylphenoxy)propoxy]benzene.
What is the SMILES notation for 1-methoxy-3-[3-(2-propan-2-ylphenoxy)propoxy]benzene?
The canonical SMILES for 1-methoxy-3-[3-(2-propan-2-ylphenoxy)propoxy]benzene is COc1cccc(OCCCOc2ccccc2C(C)C)c1.
What is the InChIKey of 1-methoxy-3-[3-(2-propan-2-ylphenoxy)propoxy]benzene?
The InChIKey is XYTJQKLUZCHNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-15(2)18-10-4-5-11-19(18)22-13-7-12-21-17-9-6-8-16(14-17)20-3/h4-6,8-11,14-15H,7,12-13H2,1-3H3.
What are the key properties of 1-methoxy-3-[3-(2-propan-2-ylphenoxy)propoxy]benzene?
1-methoxy-3-[3-(2-propan-2-ylphenoxy)propoxy]benzene has a molecular weight of 300.40 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[3-(2-propan-2-ylphenoxy)propoxy]benzene is sourced from PubChem (CID 2251897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).