2-(4-methoxybenzoyl)cyclohex-2-en-1-one

C14H14O3 — CID 142780960

IUPAC2-(4-methoxybenzoyl)cyclohex-2-en-1-one
SMILESCOc1ccc(C(=O)C2=CCCCC2=O)cc1
InChIInChI=1S/C14H14O3/c1-17-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15/h4,6-9H,2-3,5H2,1H3
InChIKeyZIRBKHIPPUIDFX-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.56
Rot. Bonds3

About 2-(4-methoxybenzoyl)cyclohex-2-en-1-one

2-(4-methoxybenzoyl)cyclohex-2-en-1-one (PubChem CID 142780960) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(4-methoxybenzoyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(4-methoxybenzoyl)cyclohex-2-en-1-one
PubChem CID142780960
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name2-(4-methoxybenzoyl)cyclohex-2-en-1-one
SMILESCOc1ccc(C(=O)C2=CCCCC2=O)cc1
InChIInChI=1S/C14H14O3/c1-17-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15/h4,6-9H,2-3,5H2,1H3
InChIKeyZIRBKHIPPUIDFX-UHFFFAOYSA-N
XLogP2.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

(5-hydroxycyclopenten-1-yl)-(4-methoxyphenyl)methanone
CID 13113758
2-[2-(4-methoxybenzoyl)cyclohex-2-en-1-yl]-1-(4-methoxyphenyl)ethanone
CID 101166633
(4-methoxyphenyl)-(1,2,3,4-tetrahydropyridin-5-yl)methanone
CID 154179958
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
cyclohexen-1-yl-(4-methoxy-2-methylphenyl)methanone
CID 103449955
1-(4-methoxybenzoyl)pyrrolidin-2-one
CID 67930161
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
cyclohepten-1-yl-(4-propan-2-yloxyphenyl)methanone
CID 103450498
2-(4-methoxybenzoyl)(113C)cyclohexan-1-one
CID 102598154
(4-hydroxyphenyl)-[4-[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]benzoyl]phenyl]methanone
CID 140957067
4-(4-methoxybenzoyl)benzaldehyde
CID 56593020

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybenzoyl)cyclohex-2-en-1-one?
The IUPAC name of 2-(4-methoxybenzoyl)cyclohex-2-en-1-one (CID 142780960) is 2-(4-methoxybenzoyl)cyclohex-2-en-1-one.
What is the SMILES notation for 2-(4-methoxybenzoyl)cyclohex-2-en-1-one?
The canonical SMILES for 2-(4-methoxybenzoyl)cyclohex-2-en-1-one is COc1ccc(C(=O)C2=CCCCC2=O)cc1.
What is the InChIKey of 2-(4-methoxybenzoyl)cyclohex-2-en-1-one?
The InChIKey is ZIRBKHIPPUIDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-17-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15/h4,6-9H,2-3,5H2,1H3.
What are the key properties of 2-(4-methoxybenzoyl)cyclohex-2-en-1-one?
2-(4-methoxybenzoyl)cyclohex-2-en-1-one has a molecular weight of 230.26 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybenzoyl)cyclohex-2-en-1-one is sourced from PubChem (CID 142780960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).