(4-ethylphenyl)-(4-methylcyclohexen-1-yl)methanone

C16H20O — CID 103451148

IUPAC(4-ethylphenyl)-(4-methylcyclohexen-1-yl)methanone
SMILESCCc1ccc(C(=O)C2=CCC(C)CC2)cc1
InChIInChI=1S/C16H20O/c1-3-13-6-10-15(11-7-13)16(17)14-8-4-12(2)5-9-14/h6-8,10-12H,3-5,9H2,1-2H3
InChIKeyXMDWKUMDESGXKC-UHFFFAOYSA-N
MW228.33 g/mol
LogP4.18
Rot. Bonds3

About (4-ethylphenyl)-(4-methylcyclohexen-1-yl)methanone

(4-ethylphenyl)-(4-methylcyclohexen-1-yl)methanone (PubChem CID 103451148) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is (4-ethylphenyl)-(4-methylcyclohexen-1-yl)methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-(4-methylcyclohexen-1-yl)methanone
PubChem CID103451148
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name(4-ethylphenyl)-(4-methylcyclohexen-1-yl)methanone
SMILESCCc1ccc(C(=O)C2=CCC(C)CC2)cc1
InChIInChI=1S/C16H20O/c1-3-13-6-10-15(11-7-13)16(17)14-8-4-12(2)5-9-14/h6-8,10-12H,3-5,9H2,1-2H3
InChIKeyXMDWKUMDESGXKC-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(4-methylcyclohexen-1-yl)methanone?
The IUPAC name of (4-ethylphenyl)-(4-methylcyclohexen-1-yl)methanone (CID 103451148) is (4-ethylphenyl)-(4-methylcyclohexen-1-yl)methanone.
What is the SMILES notation for (4-ethylphenyl)-(4-methylcyclohexen-1-yl)methanone?
The canonical SMILES for (4-ethylphenyl)-(4-methylcyclohexen-1-yl)methanone is CCc1ccc(C(=O)C2=CCC(C)CC2)cc1.
What is the InChIKey of (4-ethylphenyl)-(4-methylcyclohexen-1-yl)methanone?
The InChIKey is XMDWKUMDESGXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-3-13-6-10-15(11-7-13)16(17)14-8-4-12(2)5-9-14/h6-8,10-12H,3-5,9H2,1-2H3.
What are the key properties of (4-ethylphenyl)-(4-methylcyclohexen-1-yl)methanone?
(4-ethylphenyl)-(4-methylcyclohexen-1-yl)methanone has a molecular weight of 228.33 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(4-methylcyclohexen-1-yl)methanone is sourced from PubChem (CID 103451148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).