4-(4-ethylphenyl)-2-methoxycyclohexan-1-one

C15H20O2 — CID 150559444

IUPAC4-(4-ethylphenyl)-2-methoxycyclohexan-1-one
SMILESCCc1ccc(C2CCC(=O)C(OC)C2)cc1
InChIInChI=1S/C15H20O2/c1-3-11-4-6-12(7-5-11)13-8-9-14(16)15(10-13)17-2/h4-7,13,15H,3,8-10H2,1-2H3
InChIKeyIJNKRWAJWPXKFC-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.10
Rot. Bonds3

About 4-(4-ethylphenyl)-2-methoxycyclohexan-1-one

4-(4-ethylphenyl)-2-methoxycyclohexan-1-one (PubChem CID 150559444) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-2-methoxycyclohexan-1-one.

Molecular Properties

Compound Name4-(4-ethylphenyl)-2-methoxycyclohexan-1-one
PubChem CID150559444
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name4-(4-ethylphenyl)-2-methoxycyclohexan-1-one
SMILESCCc1ccc(C2CCC(=O)C(OC)C2)cc1
InChIInChI=1S/C15H20O2/c1-3-11-4-6-12(7-5-11)13-8-9-14(16)15(10-13)17-2/h4-7,13,15H,3,8-10H2,1-2H3
InChIKeyIJNKRWAJWPXKFC-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-2-methoxycyclohexan-1-one?
The IUPAC name of 4-(4-ethylphenyl)-2-methoxycyclohexan-1-one (CID 150559444) is 4-(4-ethylphenyl)-2-methoxycyclohexan-1-one.
What is the SMILES notation for 4-(4-ethylphenyl)-2-methoxycyclohexan-1-one?
The canonical SMILES for 4-(4-ethylphenyl)-2-methoxycyclohexan-1-one is CCc1ccc(C2CCC(=O)C(OC)C2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-2-methoxycyclohexan-1-one?
The InChIKey is IJNKRWAJWPXKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-11-4-6-12(7-5-11)13-8-9-14(16)15(10-13)17-2/h4-7,13,15H,3,8-10H2,1-2H3.
What are the key properties of 4-(4-ethylphenyl)-2-methoxycyclohexan-1-one?
4-(4-ethylphenyl)-2-methoxycyclohexan-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-2-methoxycyclohexan-1-one is sourced from PubChem (CID 150559444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).