[2-ethyl-5-(2-methylpropoxy)phenyl]-(4-methoxycyclohexyl)methanone

C20H30O3 — CID 126629458

IUPAC[2-ethyl-5-(2-methylpropoxy)phenyl]-(4-methoxycyclohexyl)methanone
SMILESCCc1ccc(OCC(C)C)cc1C(=O)C1CCC(OC)CC1
InChIInChI=1S/C20H30O3/c1-5-15-6-11-18(23-13-14(2)3)12-19(15)20(21)16-7-9-17(22-4)10-8-16/h6,11-12,14,16-17H,5,7-10,13H2,1-4H3
InChIKeyCJDNTIJKBURPPS-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.67
Rot. Bonds7

About [2-ethyl-5-(2-methylpropoxy)phenyl]-(4-methoxycyclohexyl)methanone

[2-ethyl-5-(2-methylpropoxy)phenyl]-(4-methoxycyclohexyl)methanone (PubChem CID 126629458) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is [2-ethyl-5-(2-methylpropoxy)phenyl]-(4-methoxycyclohexyl)methanone.

Molecular Properties

Compound Name[2-ethyl-5-(2-methylpropoxy)phenyl]-(4-methoxycyclohexyl)methanone
PubChem CID126629458
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name[2-ethyl-5-(2-methylpropoxy)phenyl]-(4-methoxycyclohexyl)methanone
SMILESCCc1ccc(OCC(C)C)cc1C(=O)C1CCC(OC)CC1
InChIInChI=1S/C20H30O3/c1-5-15-6-11-18(23-13-14(2)3)12-19(15)20(21)16-7-9-17(22-4)10-8-16/h6,11-12,14,16-17H,5,7-10,13H2,1-4H3
InChIKeyCJDNTIJKBURPPS-UHFFFAOYSA-N
XLogP4.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-ethyl-5-(2-methylpropoxy)phenyl]-(4-methoxycyclohexyl)methanone?
The IUPAC name of [2-ethyl-5-(2-methylpropoxy)phenyl]-(4-methoxycyclohexyl)methanone (CID 126629458) is [2-ethyl-5-(2-methylpropoxy)phenyl]-(4-methoxycyclohexyl)methanone.
What is the SMILES notation for [2-ethyl-5-(2-methylpropoxy)phenyl]-(4-methoxycyclohexyl)methanone?
The canonical SMILES for [2-ethyl-5-(2-methylpropoxy)phenyl]-(4-methoxycyclohexyl)methanone is CCc1ccc(OCC(C)C)cc1C(=O)C1CCC(OC)CC1.
What is the InChIKey of [2-ethyl-5-(2-methylpropoxy)phenyl]-(4-methoxycyclohexyl)methanone?
The InChIKey is CJDNTIJKBURPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O3/c1-5-15-6-11-18(23-13-14(2)3)12-19(15)20(21)16-7-9-17(22-4)10-8-16/h6,11-12,14,16-17H,5,7-10,13H2,1-4H3.
What are the key properties of [2-ethyl-5-(2-methylpropoxy)phenyl]-(4-methoxycyclohexyl)methanone?
[2-ethyl-5-(2-methylpropoxy)phenyl]-(4-methoxycyclohexyl)methanone has a molecular weight of 318.46 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-5-(2-methylpropoxy)phenyl]-(4-methoxycyclohexyl)methanone is sourced from PubChem (CID 126629458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).