1-(methoxymethoxy)-4-[1-[2-[4-(methoxymethoxy)phenyl]-2-methylpropoxy]-2-methylpropan-2-yl]benzene

C24H34O5 — CID 57168738

IUPAC1-(methoxymethoxy)-4-[1-[2-[4-(methoxymethoxy)phenyl]-2-methylpropoxy]-2-methylpropan-2-yl]benzene
SMILESCOCOc1ccc(C(C)(C)COCC(C)(C)c2ccc(OCOC)cc2)cc1
InChIInChI=1S/C24H34O5/c1-23(2,19-7-11-21(12-8-19)28-17-25-5)15-27-16-24(3,4)20-9-13-22(14-10-20)29-18-26-6/h7-14H,15-18H2,1-6H3
InChIKeyWQVIYTHAPDUEMU-UHFFFAOYSA-N
MW402.53 g/mol
LogP4.92
Rot. Bonds12

About 1-(methoxymethoxy)-4-[1-[2-[4-(methoxymethoxy)phenyl]-2-methylpropoxy]-2-methylpropan-2-yl]benzene

1-(methoxymethoxy)-4-[1-[2-[4-(methoxymethoxy)phenyl]-2-methylpropoxy]-2-methylpropan-2-yl]benzene (PubChem CID 57168738) has the molecular formula C24H34O5 and a molecular weight of 402.53 g/mol. Its IUPAC name is 1-(methoxymethoxy)-4-[1-[2-[4-(methoxymethoxy)phenyl]-2-methylpropoxy]-2-methylpropan-2-yl]benzene.

Molecular Properties

Compound Name1-(methoxymethoxy)-4-[1-[2-[4-(methoxymethoxy)phenyl]-2-methylpropoxy]-2-methylpropan-2-yl]benzene
PubChem CID57168738
Molecular FormulaC24H34O5
Molecular Weight402.53 g/mol
Exact Mass402.24
IUPAC Name1-(methoxymethoxy)-4-[1-[2-[4-(methoxymethoxy)phenyl]-2-methylpropoxy]-2-methylpropan-2-yl]benzene
SMILESCOCOc1ccc(C(C)(C)COCC(C)(C)c2ccc(OCOC)cc2)cc1
InChIInChI=1S/C24H34O5/c1-23(2,19-7-11-21(12-8-19)28-17-25-5)15-27-16-24(3,4)20-9-13-22(14-10-20)29-18-26-6/h7-14H,15-18H2,1-6H3
InChIKeyWQVIYTHAPDUEMU-UHFFFAOYSA-N
XLogP4.92
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.53
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(methoxymethoxy)benzene
CID 542643
1-(methoxymethoxy)-4-(trifluoromethyl)benzene
CID 11009076
1-tert-butyl-4-[1-[2-(4-tert-butylphenyl)-2-methylpropoxy]-2-methylpropan-2-yl]benzene
CID 56617676
methyl 2-[4-(methoxymethoxy)phenyl]-2-methylpropanoate
CID 172804788
1-(methoxymethoxy)-4-[2-(methoxymethoxy)-2-methylpropyl]benzene
CID 86007053
3-hydroxy-3-[4-(methoxymethoxy)phenyl]-3-phenylpropanoic acid
CID 18473837
[4-[2-[4-[4-(methoxymethoxy)benzoyl]oxyphenyl]propan-2-yl]phenyl] 4-(methoxymethoxy)benzoate
CID 58090351
1-(methoxymethoxy)-4-(methoxymethyl)benzene
CID 59017141
1-ethyl-4-(methoxymethoxy)benzene
CID 54365082
1-methoxy-4-[4-(methoxymethoxy)phenyl]benzene
CID 58029226
sodium tetrakis[4-(methoxymethoxy)phenyl]boranuide
CID 177046076
1-(methoxymethoxy)-4-[2-[4-(methoxymethoxy)phenyl]ethenyl]benzene
CID 5098450

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)-4-[1-[2-[4-(methoxymethoxy)phenyl]-2-methylpropoxy]-2-methylpropan-2-yl]benzene?
The IUPAC name of 1-(methoxymethoxy)-4-[1-[2-[4-(methoxymethoxy)phenyl]-2-methylpropoxy]-2-methylpropan-2-yl]benzene (CID 57168738) is 1-(methoxymethoxy)-4-[1-[2-[4-(methoxymethoxy)phenyl]-2-methylpropoxy]-2-methylpropan-2-yl]benzene.
What is the SMILES notation for 1-(methoxymethoxy)-4-[1-[2-[4-(methoxymethoxy)phenyl]-2-methylpropoxy]-2-methylpropan-2-yl]benzene?
The canonical SMILES for 1-(methoxymethoxy)-4-[1-[2-[4-(methoxymethoxy)phenyl]-2-methylpropoxy]-2-methylpropan-2-yl]benzene is COCOc1ccc(C(C)(C)COCC(C)(C)c2ccc(OCOC)cc2)cc1.
What is the InChIKey of 1-(methoxymethoxy)-4-[1-[2-[4-(methoxymethoxy)phenyl]-2-methylpropoxy]-2-methylpropan-2-yl]benzene?
The InChIKey is WQVIYTHAPDUEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O5/c1-23(2,19-7-11-21(12-8-19)28-17-25-5)15-27-16-24(3,4)20-9-13-22(14-10-20)29-18-26-6/h7-14H,15-18H2,1-6H3.
What are the key properties of 1-(methoxymethoxy)-4-[1-[2-[4-(methoxymethoxy)phenyl]-2-methylpropoxy]-2-methylpropan-2-yl]benzene?
1-(methoxymethoxy)-4-[1-[2-[4-(methoxymethoxy)phenyl]-2-methylpropoxy]-2-methylpropan-2-yl]benzene has a molecular weight of 402.53 g/mol, XLogP of 4.92, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)-4-[1-[2-[4-(methoxymethoxy)phenyl]-2-methylpropoxy]-2-methylpropan-2-yl]benzene is sourced from PubChem (CID 57168738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).