4-[1-(1-ethoxyethoxy)-2-phenylethyl]cyclohexan-1-one

C18H26O3 — CID 66887529

IUPAC4-[1-(1-ethoxyethoxy)-2-phenylethyl]cyclohexan-1-one
SMILESCCOC(C)OC(Cc1ccccc1)C1CCC(=O)CC1
InChIInChI=1S/C18H26O3/c1-3-20-14(2)21-18(13-15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-8,14,16,18H,3,9-13H2,1-2H3
InChIKeyFULIRYYMDHLBNB-UHFFFAOYSA-N
MW290.40 g/mol
LogP3.76
Rot. Bonds7

About 4-[1-(1-ethoxyethoxy)-2-phenylethyl]cyclohexan-1-one

4-[1-(1-ethoxyethoxy)-2-phenylethyl]cyclohexan-1-one (PubChem CID 66887529) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 4-[1-(1-ethoxyethoxy)-2-phenylethyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[1-(1-ethoxyethoxy)-2-phenylethyl]cyclohexan-1-one
PubChem CID66887529
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name4-[1-(1-ethoxyethoxy)-2-phenylethyl]cyclohexan-1-one
SMILESCCOC(C)OC(Cc1ccccc1)C1CCC(=O)CC1
InChIInChI=1S/C18H26O3/c1-3-20-14(2)21-18(13-15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-8,14,16,18H,3,9-13H2,1-2H3
InChIKeyFULIRYYMDHLBNB-UHFFFAOYSA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-ethoxyethoxy)-2-phenylethyl]cyclohexan-1-one?
The IUPAC name of 4-[1-(1-ethoxyethoxy)-2-phenylethyl]cyclohexan-1-one (CID 66887529) is 4-[1-(1-ethoxyethoxy)-2-phenylethyl]cyclohexan-1-one.
What is the SMILES notation for 4-[1-(1-ethoxyethoxy)-2-phenylethyl]cyclohexan-1-one?
The canonical SMILES for 4-[1-(1-ethoxyethoxy)-2-phenylethyl]cyclohexan-1-one is CCOC(C)OC(Cc1ccccc1)C1CCC(=O)CC1.
What is the InChIKey of 4-[1-(1-ethoxyethoxy)-2-phenylethyl]cyclohexan-1-one?
The InChIKey is FULIRYYMDHLBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-3-20-14(2)21-18(13-15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-8,14,16,18H,3,9-13H2,1-2H3.
What are the key properties of 4-[1-(1-ethoxyethoxy)-2-phenylethyl]cyclohexan-1-one?
4-[1-(1-ethoxyethoxy)-2-phenylethyl]cyclohexan-1-one has a molecular weight of 290.40 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-ethoxyethoxy)-2-phenylethyl]cyclohexan-1-one is sourced from PubChem (CID 66887529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).