cyclohexen-1-yl-(2-propan-2-yloxyphenyl)methanone

C16H20O2 — CID 103449936

IUPACcyclohexen-1-yl-(2-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccccc1C(=O)C1=CCCCC1
InChIInChI=1S/C16H20O2/c1-12(2)18-15-11-7-6-10-14(15)16(17)13-8-4-3-5-9-13/h6-8,10-12H,3-5,9H2,1-2H3
InChIKeyJVJOSRQKJJMSLN-UHFFFAOYSA-N
MW244.33 g/mol
LogP4.16
Rot. Bonds4

About cyclohexen-1-yl-(2-propan-2-yloxyphenyl)methanone

cyclohexen-1-yl-(2-propan-2-yloxyphenyl)methanone (PubChem CID 103449936) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is cyclohexen-1-yl-(2-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-(2-propan-2-yloxyphenyl)methanone
PubChem CID103449936
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Namecyclohexen-1-yl-(2-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccccc1C(=O)C1=CCCCC1
InChIInChI=1S/C16H20O2/c1-12(2)18-15-11-7-6-10-14(15)16(17)13-8-4-3-5-9-13/h6-8,10-12H,3-5,9H2,1-2H3
InChIKeyJVJOSRQKJJMSLN-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylcyclohexen-1-yl)-(2-propan-2-yloxyphenyl)methanone
CID 103451094
[(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone
CID 106651753
cyclohepten-1-yl-(4-propan-2-yloxyphenyl)methanone
CID 103450498
(2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone
CID 115788569
2-propan-2-yloxybenzoyl chloride
CID 15921914
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone
CID 146008297
(2-bromo-3-methylphenyl)-[(1E)-cycloocten-1-yl]methanone
CID 107984675
(1-methoxycyclopentyl)-(2-propan-2-yloxyphenyl)methanone
CID 104610131
cyclopenten-1-yl-(2,3-dimethylphenyl)methanone
CID 62080312
2,3-dihydro-1H-indol-5-yl-(2-propan-2-yloxyphenyl)methanone
CID 116554090
cyclohexen-1-yl-(2-methylthiophen-3-yl)methanone
CID 103449971

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(2-propan-2-yloxyphenyl)methanone?
The IUPAC name of cyclohexen-1-yl-(2-propan-2-yloxyphenyl)methanone (CID 103449936) is cyclohexen-1-yl-(2-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for cyclohexen-1-yl-(2-propan-2-yloxyphenyl)methanone?
The canonical SMILES for cyclohexen-1-yl-(2-propan-2-yloxyphenyl)methanone is CC(C)Oc1ccccc1C(=O)C1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl-(2-propan-2-yloxyphenyl)methanone?
The InChIKey is JVJOSRQKJJMSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-12(2)18-15-11-7-6-10-14(15)16(17)13-8-4-3-5-9-13/h6-8,10-12H,3-5,9H2,1-2H3.
What are the key properties of cyclohexen-1-yl-(2-propan-2-yloxyphenyl)methanone?
cyclohexen-1-yl-(2-propan-2-yloxyphenyl)methanone has a molecular weight of 244.33 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(2-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 103449936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).