1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene

C21H28O2 — CID 57185259

IUPAC1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene
SMILESCCCCCCC(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C21H28O2/c1-4-5-6-7-8-21(17-9-13-19(22-2)14-10-17)18-11-15-20(23-3)16-12-18/h9-16,21H,4-8H2,1-3H3
InChIKeyBCRJEXLQBSKLLE-UHFFFAOYSA-N
MW312.45 g/mol
LogP5.81
Rot. Bonds9

About 1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene

1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene (PubChem CID 57185259) has the molecular formula C21H28O2 and a molecular weight of 312.45 g/mol. Its IUPAC name is 1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene
PubChem CID57185259
Molecular FormulaC21H28O2
Molecular Weight312.45 g/mol
Exact Mass312.21
IUPAC Name1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene
SMILESCCCCCCC(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C21H28O2/c1-4-5-6-7-8-21(17-9-13-19(22-2)14-10-17)18-11-15-20(23-3)16-12-18/h9-16,21H,4-8H2,1-3H3
InChIKeyBCRJEXLQBSKLLE-UHFFFAOYSA-N
XLogP5.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.45
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-[1-(4-methoxyphenyl)octyl]benzene
CID 10520209
1-methoxy-4-[1-(4-methoxyphenyl)henicosyl]benzene
CID 168813672
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
1-(4-methoxyphenyl)decane-1,2-diol
CID 77411526
[4-[1-(4-methoxyphenyl)decyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)docosyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)dodecyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)hexadecyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)-2-methylundecyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)nonadecyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)nonyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)octadecyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)tetradecyl]phenyl] acetate;[4-[1-(4-methoxyphenyl)undecyl]phenyl] acetate
CID 158158710
1-(4-methoxyphenyl)heptylhydrazine
CID 105190916
2-[1-(4-methoxyphenyl)tridecyl]-1,3-benzothiazole
CID 176916341
1-methoxy-4-nonan-5-ylbenzene
CID 14937032
4-[1-[4-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]decyl]phenyl]pentyl]aniline
CID 22920190
1-[(2R)-hexan-2-yl]-4-methoxybenzene
CID 134898534
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene?
The IUPAC name of 1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene (CID 57185259) is 1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene.
What is the SMILES notation for 1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene?
The canonical SMILES for 1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene is CCCCCCC(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene?
The InChIKey is BCRJEXLQBSKLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2/c1-4-5-6-7-8-21(17-9-13-19(22-2)14-10-17)18-11-15-20(23-3)16-12-18/h9-16,21H,4-8H2,1-3H3.
What are the key properties of 1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene?
1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene has a molecular weight of 312.45 g/mol, XLogP of 5.81, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene is sourced from PubChem (CID 57185259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).