1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene

C18H22O3 — CID 2284499

IUPAC1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
SMILESCCOc1cccc(OCCCOc2cccc(C)c2)c1
InChIInChI=1S/C18H22O3/c1-3-19-17-9-5-10-18(14-17)21-12-6-11-20-16-8-4-7-15(2)13-16/h4-5,7-10,13-14H,3,6,11-12H2,1-2H3
InChIKeySQBOKIPPKWXOEK-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.24
Rot. Bonds8

About 1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene

1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene (PubChem CID 2284499) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene.

Molecular Properties

Compound Name1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
PubChem CID2284499
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
SMILESCCOc1cccc(OCCCOc2cccc(C)c2)c1
InChIInChI=1S/C18H22O3/c1-3-19-17-9-5-10-18(14-17)21-12-6-11-20-16-8-4-7-15(2)13-16/h4-5,7-10,13-14H,3,6,11-12H2,1-2H3
InChIKeySQBOKIPPKWXOEK-UHFFFAOYSA-N
XLogP4.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.24
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-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
ethane;1-ethoxy-3-methylbenzene;methanol
CID 142994688
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
1-methyl-3-pentadecoxybenzene
CID 154641822
1-hexadecoxy-3-methylbenzene
CID 154641790
1-(3-iodopropoxy)-3-methylbenzene
CID 64788353
azane;1-ethoxy-3-pentoxybenzene
CID 68858003
1-(5-chloropentoxy)-3-ethoxybenzene
CID 62338455
1-(4-bromobutoxy)-3-ethoxybenzene
CID 62338454
1-methyl-3-[(Z)-undec-4-enoxy]benzene
CID 143691460
5-(3-methylphenoxy)pentoxyphosphane
CID 175344008
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene?
The IUPAC name of 1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene (CID 2284499) is 1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene.
What is the SMILES notation for 1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene?
The canonical SMILES for 1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene is CCOc1cccc(OCCCOc2cccc(C)c2)c1.
What is the InChIKey of 1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene?
The InChIKey is SQBOKIPPKWXOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-3-19-17-9-5-10-18(14-17)21-12-6-11-20-16-8-4-7-15(2)13-16/h4-5,7-10,13-14H,3,6,11-12H2,1-2H3.
What are the key properties of 1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene?
1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene has a molecular weight of 286.37 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene is sourced from PubChem (CID 2284499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).