3-(2-prop-1-enylphenoxy)cyclohexan-1-one

C15H18O2 — CID 79617926

IUPAC3-(2-prop-1-enylphenoxy)cyclohexan-1-one
SMILESCC=Cc1ccccc1OC1CCCC(=O)C1
InChIInChI=1S/C15H18O2/c1-2-6-12-7-3-4-10-15(12)17-14-9-5-8-13(16)11-14/h2-4,6-7,10,14H,5,8-9,11H2,1H3
InChIKeyCLRKWJGMRNWYJQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.61
Rot. Bonds3

About 3-(2-prop-1-enylphenoxy)cyclohexan-1-one

3-(2-prop-1-enylphenoxy)cyclohexan-1-one (PubChem CID 79617926) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(2-prop-1-enylphenoxy)cyclohexan-1-one.

Molecular Properties

Compound Name3-(2-prop-1-enylphenoxy)cyclohexan-1-one
PubChem CID79617926
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name3-(2-prop-1-enylphenoxy)cyclohexan-1-one
SMILESCC=Cc1ccccc1OC1CCCC(=O)C1
InChIInChI=1S/C15H18O2/c1-2-6-12-7-3-4-10-15(12)17-14-9-5-8-13(16)11-14/h2-4,6-7,10,14H,5,8-9,11H2,1H3
InChIKeyCLRKWJGMRNWYJQ-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-prop-1-enylphenoxy)cyclohexan-1-one?
The IUPAC name of 3-(2-prop-1-enylphenoxy)cyclohexan-1-one (CID 79617926) is 3-(2-prop-1-enylphenoxy)cyclohexan-1-one.
What is the SMILES notation for 3-(2-prop-1-enylphenoxy)cyclohexan-1-one?
The canonical SMILES for 3-(2-prop-1-enylphenoxy)cyclohexan-1-one is CC=Cc1ccccc1OC1CCCC(=O)C1.
What is the InChIKey of 3-(2-prop-1-enylphenoxy)cyclohexan-1-one?
The InChIKey is CLRKWJGMRNWYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-6-12-7-3-4-10-15(12)17-14-9-5-8-13(16)11-14/h2-4,6-7,10,14H,5,8-9,11H2,1H3.
What are the key properties of 3-(2-prop-1-enylphenoxy)cyclohexan-1-one?
3-(2-prop-1-enylphenoxy)cyclohexan-1-one has a molecular weight of 230.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-prop-1-enylphenoxy)cyclohexan-1-one is sourced from PubChem (CID 79617926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).