1-methoxy-4-[4-(4-methoxyphenyl)hexan-3-yl]benzene

C20H26O2 — CID 8541

IUPAC1-methoxy-4-[4-(4-methoxyphenyl)hexan-3-yl]benzene
SMILESCCC(c1ccc(OC)cc1)C(CC)c1ccc(OC)cc1
InChIInChI=1S/C20H26O2/c1-5-19(15-7-11-17(21-3)12-8-15)20(6-2)16-9-13-18(22-4)14-10-16/h7-14,19-20H,5-6H2,1-4H3
InChIKeyVKVVHAKNGMXJDU-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.39
Rot. Bonds7

About 1-methoxy-4-[4-(4-methoxyphenyl)hexan-3-yl]benzene

1-methoxy-4-[4-(4-methoxyphenyl)hexan-3-yl]benzene (PubChem CID 8541) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-methoxy-4-[4-(4-methoxyphenyl)hexan-3-yl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[4-(4-methoxyphenyl)hexan-3-yl]benzene
PubChem CID8541
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name1-methoxy-4-[4-(4-methoxyphenyl)hexan-3-yl]benzene
SMILESCCC(c1ccc(OC)cc1)C(CC)c1ccc(OC)cc1
InChIInChI=1S/C20H26O2/c1-5-19(15-7-11-17(21-3)12-8-15)20(6-2)16-9-13-18(22-4)14-10-16/h7-14,19-20H,5-6H2,1-4H3
InChIKeyVKVVHAKNGMXJDU-UHFFFAOYSA-N
XLogP5.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Anethole
CID 637563
Estragole
CID 8815
Methoxychlor
CID 4115
Hexestrol
CID 192197
Bisphenol A diglycidyl ether
CID 2286
Etofenprox
CID 71245
Cyclofenil
CID 2898
Chlorotrianisene
CID 11289
4-Methylanisole
CID 7731
2-Methoxynaphthalene
CID 7119
Terameprocol
CID 476861
cis-Anethole
CID 1549040

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[4-(4-methoxyphenyl)hexan-3-yl]benzene?
The IUPAC name of 1-methoxy-4-[4-(4-methoxyphenyl)hexan-3-yl]benzene (CID 8541) is 1-methoxy-4-[4-(4-methoxyphenyl)hexan-3-yl]benzene.
What is the SMILES notation for 1-methoxy-4-[4-(4-methoxyphenyl)hexan-3-yl]benzene?
The canonical SMILES for 1-methoxy-4-[4-(4-methoxyphenyl)hexan-3-yl]benzene is CCC(c1ccc(OC)cc1)C(CC)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[4-(4-methoxyphenyl)hexan-3-yl]benzene?
The InChIKey is VKVVHAKNGMXJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-5-19(15-7-11-17(21-3)12-8-15)20(6-2)16-9-13-18(22-4)14-10-16/h7-14,19-20H,5-6H2,1-4H3.
What are the key properties of 1-methoxy-4-[4-(4-methoxyphenyl)hexan-3-yl]benzene?
1-methoxy-4-[4-(4-methoxyphenyl)hexan-3-yl]benzene has a molecular weight of 298.43 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[4-(4-methoxyphenyl)hexan-3-yl]benzene is sourced from PubChem (CID 8541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).