2-[2-(4-ethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one

C18H26O2 — CID 64764634

IUPAC2-[2-(4-ethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one
SMILESCCOc1ccc(C(C)(C)C2CCC(C)CC2=O)cc1
InChIInChI=1S/C18H26O2/c1-5-20-15-9-7-14(8-10-15)18(3,4)16-11-6-13(2)12-17(16)19/h7-10,13,16H,5-6,11-12H2,1-4H3
InChIKeyJYTFUDSGFHLYJS-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.37
Rot. Bonds4

About 2-[2-(4-ethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one

2-[2-(4-ethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one (PubChem CID 64764634) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one
PubChem CID64764634
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name2-[2-(4-ethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one
SMILESCCOc1ccc(C(C)(C)C2CCC(C)CC2=O)cc1
InChIInChI=1S/C18H26O2/c1-5-20-15-9-7-14(8-10-15)18(3,4)16-11-6-13(2)12-17(16)19/h7-10,13,16H,5-6,11-12H2,1-4H3
InChIKeyJYTFUDSGFHLYJS-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one?
The IUPAC name of 2-[2-(4-ethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one (CID 64764634) is 2-[2-(4-ethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one.
What is the SMILES notation for 2-[2-(4-ethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one?
The canonical SMILES for 2-[2-(4-ethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one is CCOc1ccc(C(C)(C)C2CCC(C)CC2=O)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one?
The InChIKey is JYTFUDSGFHLYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-5-20-15-9-7-14(8-10-15)18(3,4)16-11-6-13(2)12-17(16)19/h7-10,13,16H,5-6,11-12H2,1-4H3.
What are the key properties of 2-[2-(4-ethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one?
2-[2-(4-ethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one has a molecular weight of 274.40 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-one is sourced from PubChem (CID 64764634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).