1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3,7-dimethylnaphthalene

C24H28O3 — CID 126699664

IUPAC1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3,7-dimethylnaphthalene
SMILESCOCCOCCOc1ccc(-c2cc(C)cc3ccc(C)cc23)cc1C
InChIInChI=1S/C24H28O3/c1-17-5-6-20-13-18(2)15-23(22(20)14-17)21-7-8-24(19(3)16-21)27-12-11-26-10-9-25-4/h5-8,13-16H,9-12H2,1-4H3
InChIKeyPYIPWPMEGGFQHX-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.47
Rot. Bonds8

About 1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3,7-dimethylnaphthalene

1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3,7-dimethylnaphthalene (PubChem CID 126699664) has the molecular formula C24H28O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3,7-dimethylnaphthalene.

Molecular Properties

Compound Name1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3,7-dimethylnaphthalene
PubChem CID126699664
Molecular FormulaC24H28O3
Molecular Weight364.49 g/mol
Exact Mass364.20
IUPAC Name1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3,7-dimethylnaphthalene
SMILESCOCCOCCOc1ccc(-c2cc(C)cc3ccc(C)cc23)cc1C
InChIInChI=1S/C24H28O3/c1-17-5-6-20-13-18(2)15-23(22(20)14-17)21-7-8-24(19(3)16-21)27-12-11-26-10-9-25-4/h5-8,13-16H,9-12H2,1-4H3
InChIKeyPYIPWPMEGGFQHX-UHFFFAOYSA-N
XLogP5.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.47
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-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3,7-dimethylnaphthalene?
The IUPAC name of 1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3,7-dimethylnaphthalene (CID 126699664) is 1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3,7-dimethylnaphthalene.
What is the SMILES notation for 1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3,7-dimethylnaphthalene?
The canonical SMILES for 1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3,7-dimethylnaphthalene is COCCOCCOc1ccc(-c2cc(C)cc3ccc(C)cc23)cc1C.
What is the InChIKey of 1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3,7-dimethylnaphthalene?
The InChIKey is PYIPWPMEGGFQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O3/c1-17-5-6-20-13-18(2)15-23(22(20)14-17)21-7-8-24(19(3)16-21)27-12-11-26-10-9-25-4/h5-8,13-16H,9-12H2,1-4H3.
What are the key properties of 1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3,7-dimethylnaphthalene?
1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3,7-dimethylnaphthalene has a molecular weight of 364.49 g/mol, XLogP of 5.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-methoxyethoxy)ethoxy]-3-methylphenyl]-3,7-dimethylnaphthalene is sourced from PubChem (CID 126699664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).