1-[(4-butoxycyclohexyl)methoxy]-4-ethylbenzene

C19H30O2 — CID 59982551

IUPAC1-[(4-butoxycyclohexyl)methoxy]-4-ethylbenzene
SMILESCCCCOC1CCC(COc2ccc(CC)cc2)CC1
InChIInChI=1S/C19H30O2/c1-3-5-14-20-18-12-8-17(9-13-18)15-21-19-10-6-16(4-2)7-11-19/h6-7,10-11,17-18H,3-5,8-9,12-15H2,1-2H3
InChIKeyBNCBJRXWRLCOTG-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.00
Rot. Bonds8

About 1-[(4-butoxycyclohexyl)methoxy]-4-ethylbenzene

1-[(4-butoxycyclohexyl)methoxy]-4-ethylbenzene (PubChem CID 59982551) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[(4-butoxycyclohexyl)methoxy]-4-ethylbenzene.

Molecular Properties

Compound Name1-[(4-butoxycyclohexyl)methoxy]-4-ethylbenzene
PubChem CID59982551
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name1-[(4-butoxycyclohexyl)methoxy]-4-ethylbenzene
SMILESCCCCOC1CCC(COc2ccc(CC)cc2)CC1
InChIInChI=1S/C19H30O2/c1-3-5-14-20-18-12-8-17(9-13-18)15-21-19-10-6-16(4-2)7-11-19/h6-7,10-11,17-18H,3-5,8-9,12-15H2,1-2H3
InChIKeyBNCBJRXWRLCOTG-UHFFFAOYSA-N
XLogP5.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.00
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-[(4-butoxycyclohexyl)methoxy]-4-ethylbenzene?
The IUPAC name of 1-[(4-butoxycyclohexyl)methoxy]-4-ethylbenzene (CID 59982551) is 1-[(4-butoxycyclohexyl)methoxy]-4-ethylbenzene.
What is the SMILES notation for 1-[(4-butoxycyclohexyl)methoxy]-4-ethylbenzene?
The canonical SMILES for 1-[(4-butoxycyclohexyl)methoxy]-4-ethylbenzene is CCCCOC1CCC(COc2ccc(CC)cc2)CC1.
What is the InChIKey of 1-[(4-butoxycyclohexyl)methoxy]-4-ethylbenzene?
The InChIKey is BNCBJRXWRLCOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-3-5-14-20-18-12-8-17(9-13-18)15-21-19-10-6-16(4-2)7-11-19/h6-7,10-11,17-18H,3-5,8-9,12-15H2,1-2H3.
What are the key properties of 1-[(4-butoxycyclohexyl)methoxy]-4-ethylbenzene?
1-[(4-butoxycyclohexyl)methoxy]-4-ethylbenzene has a molecular weight of 290.45 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-butoxycyclohexyl)methoxy]-4-ethylbenzene is sourced from PubChem (CID 59982551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).