1-butoxy-4-(4-butoxyphenyl)benzene

C20H26O2 — CID 604312

IUPAC1-butoxy-4-(4-butoxyphenyl)benzene
SMILESCCCCOc1ccc(-c2ccc(OCCCC)cc2)cc1
InChIInChI=1S/C20H26O2/c1-3-5-15-21-19-11-7-17(8-12-19)18-9-13-20(14-10-18)22-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3
InChIKeyIBCVAKLNEYUUBM-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.71
Rot. Bonds9

About 1-butoxy-4-(4-butoxyphenyl)benzene

1-butoxy-4-(4-butoxyphenyl)benzene (PubChem CID 604312) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-butoxy-4-(4-butoxyphenyl)benzene.

Molecular Properties

Compound Name1-butoxy-4-(4-butoxyphenyl)benzene
PubChem CID604312
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name1-butoxy-4-(4-butoxyphenyl)benzene
SMILESCCCCOc1ccc(-c2ccc(OCCCC)cc2)cc1
InChIInChI=1S/C20H26O2/c1-3-5-15-21-19-11-7-17(8-12-19)18-9-13-20(14-10-18)22-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3
InChIKeyIBCVAKLNEYUUBM-UHFFFAOYSA-N
XLogP5.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.71
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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Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-(4-butoxyphenyl)benzene?
The IUPAC name of 1-butoxy-4-(4-butoxyphenyl)benzene (CID 604312) is 1-butoxy-4-(4-butoxyphenyl)benzene.
What is the SMILES notation for 1-butoxy-4-(4-butoxyphenyl)benzene?
The canonical SMILES for 1-butoxy-4-(4-butoxyphenyl)benzene is CCCCOc1ccc(-c2ccc(OCCCC)cc2)cc1.
What is the InChIKey of 1-butoxy-4-(4-butoxyphenyl)benzene?
The InChIKey is IBCVAKLNEYUUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-3-5-15-21-19-11-7-17(8-12-19)18-9-13-20(14-10-18)22-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3.
What are the key properties of 1-butoxy-4-(4-butoxyphenyl)benzene?
1-butoxy-4-(4-butoxyphenyl)benzene has a molecular weight of 298.43 g/mol, XLogP of 5.71, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-(4-butoxyphenyl)benzene is sourced from PubChem (CID 604312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).