1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene

C19H24O3 — CID 2251913

IUPAC1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene
SMILESCOc1cccc(OCCCCOc2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H24O3/c1-15-11-16(2)13-19(12-15)22-10-5-4-9-21-18-8-6-7-17(14-18)20-3/h6-8,11-14H,4-5,9-10H2,1-3H3
InChIKeyNPSYCVBRJROEIM-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.55
Rot. Bonds8

About 1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene

1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene (PubChem CID 2251913) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene
PubChem CID2251913
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene
SMILESCOc1cccc(OCCCCOc2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H24O3/c1-15-11-16(2)13-19(12-15)22-10-5-4-9-21-18-8-6-7-17(14-18)20-3/h6-8,11-14H,4-5,9-10H2,1-3H3
InChIKeyNPSYCVBRJROEIM-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
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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Related Compounds

1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene
CID 2251707
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
1-[4-(3-methoxyphenoxy)butoxy]-2,3-dimethylbenzene
CID 2252067
1-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzene
CID 14047829
1-butoxy-3-methoxy-5-methylbenzene
CID 118268625
5-methoxy-2-[4-(3-methylphenoxy)butoxy]aniline
CID 82097281
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
1-methoxy-3-pent-4-enoxybenzene
CID 10750277
N-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine
CID 62572887
1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2944428

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene?
The IUPAC name of 1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene (CID 2251913) is 1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene?
The canonical SMILES for 1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene is COc1cccc(OCCCCOc2cc(C)cc(C)c2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene?
The InChIKey is NPSYCVBRJROEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-15-11-16(2)13-19(12-15)22-10-5-4-9-21-18-8-6-7-17(14-18)20-3/h6-8,11-14H,4-5,9-10H2,1-3H3.
What are the key properties of 1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene?
1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene has a molecular weight of 300.40 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene is sourced from PubChem (CID 2251913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).