1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene

C26H38O4 — CID 134880850

IUPAC1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
SMILESCOc1ccccc1OCCCCCCCCCCCCOc1ccccc1OC
InChIInChI=1S/C26H38O4/c1-27-23-17-11-13-19-25(23)29-21-15-9-7-5-3-4-6-8-10-16-22-30-26-20-14-12-18-24(26)28-2/h11-14,17-20H,3-10,15-16,21-22H2,1-2H3
InChIKeyFXGPZDFBFMLURM-UHFFFAOYSA-N
MW414.59 g/mol
LogP7.06
Rot. Bonds17

About 1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene

1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene (PubChem CID 134880850) has the molecular formula C26H38O4 and a molecular weight of 414.59 g/mol. Its IUPAC name is 1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene.

Molecular Properties

Compound Name1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
PubChem CID134880850
Molecular FormulaC26H38O4
Molecular Weight414.59 g/mol
Exact Mass414.28
IUPAC Name1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
SMILESCOc1ccccc1OCCCCCCCCCCCCOc1ccccc1OC
InChIInChI=1S/C26H38O4/c1-27-23-17-11-13-19-25(23)29-21-15-9-7-5-3-4-6-8-10-16-22-30-26-20-14-12-18-24(26)28-2/h11-14,17-20H,3-10,15-16,21-22H2,1-2H3
InChIKeyFXGPZDFBFMLURM-UHFFFAOYSA-N
XLogP7.06
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 57.06
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

1-(4-chlorobutoxy)-2-methoxybenzene
CID 22048718
4-(2-methoxyphenoxy)butan-1-ol
CID 43510003
1-methoxy-2-(4-phenoxybutoxy)benzene
CID 2252132
11-(2-methoxyphenoxy)undecanoic acid
CID 54541327
diethyl-[6-(2-methoxyphenoxy)hexyl]azanium
CID 2304713
2-(2-methoxyphenoxy)ethyl-methylazanium
CID 7438015
1-[5-(2-methoxyphenoxy)pentyl]piperidin-1-ium
CID 2304779
N-tert-butyl-4-(2-methoxyphenoxy)butan-1-amine
CID 2248871
6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate
CID 90308739
1-(2-ethoxyethoxy)-2-methoxybenzene
CID 57249631
1-methoxy-2-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 78767785
N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine
CID 54796021

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene?
The IUPAC name of 1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene (CID 134880850) is 1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene.
What is the SMILES notation for 1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene?
The canonical SMILES for 1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene is COc1ccccc1OCCCCCCCCCCCCOc1ccccc1OC.
What is the InChIKey of 1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene?
The InChIKey is FXGPZDFBFMLURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O4/c1-27-23-17-11-13-19-25(23)29-21-15-9-7-5-3-4-6-8-10-16-22-30-26-20-14-12-18-24(26)28-2/h11-14,17-20H,3-10,15-16,21-22H2,1-2H3.
What are the key properties of 1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene?
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene has a molecular weight of 414.59 g/mol, XLogP of 7.06, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene is sourced from PubChem (CID 134880850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).