cyclohexen-1-yl-(4-methoxy-2-methylphenyl)methanone

C15H18O2 — CID 103449955

IUPACcyclohexen-1-yl-(4-methoxy-2-methylphenyl)methanone
SMILESCOc1ccc(C(=O)C2=CCCCC2)c(C)c1
InChIInChI=1S/C15H18O2/c1-11-10-13(17-2)8-9-14(11)15(16)12-6-4-3-5-7-12/h6,8-10H,3-5,7H2,1-2H3
InChIKeyMXGGXCYWMGIZPP-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.69
Rot. Bonds3

About cyclohexen-1-yl-(4-methoxy-2-methylphenyl)methanone

cyclohexen-1-yl-(4-methoxy-2-methylphenyl)methanone (PubChem CID 103449955) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is cyclohexen-1-yl-(4-methoxy-2-methylphenyl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-(4-methoxy-2-methylphenyl)methanone
PubChem CID103449955
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Namecyclohexen-1-yl-(4-methoxy-2-methylphenyl)methanone
SMILESCOc1ccc(C(=O)C2=CCCCC2)c(C)c1
InChIInChI=1S/C15H18O2/c1-11-10-13(17-2)8-9-14(11)15(16)12-6-4-3-5-7-12/h6,8-10H,3-5,7H2,1-2H3
InChIKeyMXGGXCYWMGIZPP-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexen-1-yl-(2,4,5-trimethylphenyl)methanone
CID 103449982
[(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone
CID 106651753
cyclohexen-1-yl-(3-methyl-4-pyridinyl)methanone
CID 106652156
(3,5-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanone
CID 114965510
cyclohepten-1-yl-(4-propan-2-yloxyphenyl)methanone
CID 103450498
(4-methoxy-2-methylphenyl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612565
cyclohexen-1-yl-(2-methylthiophen-3-yl)methanone
CID 103449971
(2-bromo-5-methylphenyl)-[(1E)-cycloocten-1-yl]methanone
CID 106655776
(2-bromo-3-methylphenyl)-[(1E)-cycloocten-1-yl]methanone
CID 107984675
cyclohepten-1-yl-(4-methoxythiophen-2-yl)methanone
CID 81126725
4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene
CID 102177256
cyclopenten-1-yl-(2,3-dimethylphenyl)methanone
CID 62080312

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(4-methoxy-2-methylphenyl)methanone?
The IUPAC name of cyclohexen-1-yl-(4-methoxy-2-methylphenyl)methanone (CID 103449955) is cyclohexen-1-yl-(4-methoxy-2-methylphenyl)methanone.
What is the SMILES notation for cyclohexen-1-yl-(4-methoxy-2-methylphenyl)methanone?
The canonical SMILES for cyclohexen-1-yl-(4-methoxy-2-methylphenyl)methanone is COc1ccc(C(=O)C2=CCCCC2)c(C)c1.
What is the InChIKey of cyclohexen-1-yl-(4-methoxy-2-methylphenyl)methanone?
The InChIKey is MXGGXCYWMGIZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-11-10-13(17-2)8-9-14(11)15(16)12-6-4-3-5-7-12/h6,8-10H,3-5,7H2,1-2H3.
What are the key properties of cyclohexen-1-yl-(4-methoxy-2-methylphenyl)methanone?
cyclohexen-1-yl-(4-methoxy-2-methylphenyl)methanone has a molecular weight of 230.31 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(4-methoxy-2-methylphenyl)methanone is sourced from PubChem (CID 103449955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).