1-(2-cyclohex-2-en-1-yloxyphenyl)propan-1-one

C15H18O2 — CID 115618714

IUPAC1-(2-cyclohex-2-en-1-yloxyphenyl)propan-1-one
SMILESCCC(=O)c1ccccc1OC1C=CCCC1
InChIInChI=1S/C15H18O2/c1-2-14(16)13-10-6-7-11-15(13)17-12-8-4-3-5-9-12/h4,6-8,10-12H,2-3,5,9H2,1H3
InChIKeyKGSZRHXESFBKMR-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.77
Rot. Bonds4

About 1-(2-cyclohex-2-en-1-yloxyphenyl)propan-1-one

1-(2-cyclohex-2-en-1-yloxyphenyl)propan-1-one (PubChem CID 115618714) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(2-cyclohex-2-en-1-yloxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2-cyclohex-2-en-1-yloxyphenyl)propan-1-one
PubChem CID115618714
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1-(2-cyclohex-2-en-1-yloxyphenyl)propan-1-one
SMILESCCC(=O)c1ccccc1OC1C=CCCC1
InChIInChI=1S/C15H18O2/c1-2-14(16)13-10-6-7-11-15(13)17-12-8-4-3-5-9-12/h4,6-8,10-12H,2-3,5,9H2,1H3
InChIKeyKGSZRHXESFBKMR-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-(2-cyclobutyloxyphenyl)propan-1-one
CID 117312431
5-chloro-2-cyclohex-2-en-1-yloxybenzoic acid
CID 54206426
1-cyclohex-2-en-1-yloxy-2-ethenylbenzene
CID 15274159
cyclohex-2-en-1-yl propanoate
CID 10986464
(1E)-3-(2-propan-2-ylphenoxy)cyclooctene
CID 114228087
4-chloro-2-cyclohex-2-en-1-yloxybenzoic acid
CID 114619545
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
2-cyclopent-2-en-1-yloxybenzaldehyde
CID 13110295
2-O-[(2Z)-cyclooct-2-en-1-yl] 1-O-methyl benzene-1,2-dicarboxylate
CID 101173390
(NE)-N-[1-(2-cyclopentyloxyphenyl)propylidene]hydroxylamine
CID 43185539
1-[2-(methoxymethoxy)phenyl]propan-1-one
CID 15053855
1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-1-one
CID 103134352

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohex-2-en-1-yloxyphenyl)propan-1-one?
The IUPAC name of 1-(2-cyclohex-2-en-1-yloxyphenyl)propan-1-one (CID 115618714) is 1-(2-cyclohex-2-en-1-yloxyphenyl)propan-1-one.
What is the SMILES notation for 1-(2-cyclohex-2-en-1-yloxyphenyl)propan-1-one?
The canonical SMILES for 1-(2-cyclohex-2-en-1-yloxyphenyl)propan-1-one is CCC(=O)c1ccccc1OC1C=CCCC1.
What is the InChIKey of 1-(2-cyclohex-2-en-1-yloxyphenyl)propan-1-one?
The InChIKey is KGSZRHXESFBKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-14(16)13-10-6-7-11-15(13)17-12-8-4-3-5-9-12/h4,6-8,10-12H,2-3,5,9H2,1H3.
What are the key properties of 1-(2-cyclohex-2-en-1-yloxyphenyl)propan-1-one?
1-(2-cyclohex-2-en-1-yloxyphenyl)propan-1-one has a molecular weight of 230.31 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohex-2-en-1-yloxyphenyl)propan-1-one is sourced from PubChem (CID 115618714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).