cyclohex-3-en-1-yl-(3-methoxyphenyl)methanone

C14H16O2 — CID 175706022

IUPACcyclohex-3-en-1-yl-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2CC=CCC2)c1
InChIInChI=1S/C14H16O2/c1-16-13-9-5-8-12(10-13)14(15)11-6-3-2-4-7-11/h2-3,5,8-11H,4,6-7H2,1H3
InChIKeyVNKRHPKYUSGCOE-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.23
Rot. Bonds3

About cyclohex-3-en-1-yl-(3-methoxyphenyl)methanone

cyclohex-3-en-1-yl-(3-methoxyphenyl)methanone (PubChem CID 175706022) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(3-methoxyphenyl)methanone
PubChem CID175706022
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Namecyclohex-3-en-1-yl-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2CC=CCC2)c1
InChIInChI=1S/C14H16O2/c1-16-13-9-5-8-12(10-13)14(15)11-6-3-2-4-7-11/h2-3,5,8-11H,4,6-7H2,1H3
InChIKeyVNKRHPKYUSGCOE-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.23
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

cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
cis-(1R,3S)-3-(3-methoxybenzoyl)cyclohexane-1-carboxylic acid
CID 24722452
(2R)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]-N-(3-methoxyphenyl)-3-oxopropanamide
CID 98449969
(3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone
CID 95442884
1-(3-methoxyphenyl)-2-naphthalen-2-ylethane-1,2-dione
CID 170457473
3-(3-methoxybenzoyl)oxolan-2-one
CID 59244973
(3-methoxyphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 114097286
(3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone
CID 82389965
(3-methoxyphenyl)-(5-methyloxolan-3-yl)methanone
CID 114962440
(1R)-N-(2,4-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide
CID 51469355
[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-(3-methoxyphenyl)methanone;oxalic acid
CID 17385000

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-(3-methoxyphenyl)methanone?
The IUPAC name of cyclohex-3-en-1-yl-(3-methoxyphenyl)methanone (CID 175706022) is cyclohex-3-en-1-yl-(3-methoxyphenyl)methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-(3-methoxyphenyl)methanone?
The canonical SMILES for cyclohex-3-en-1-yl-(3-methoxyphenyl)methanone is COc1cccc(C(=O)C2CC=CCC2)c1.
What is the InChIKey of cyclohex-3-en-1-yl-(3-methoxyphenyl)methanone?
The InChIKey is VNKRHPKYUSGCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-16-13-9-5-8-12(10-13)14(15)11-6-3-2-4-7-11/h2-3,5,8-11H,4,6-7H2,1H3.
What are the key properties of cyclohex-3-en-1-yl-(3-methoxyphenyl)methanone?
cyclohex-3-en-1-yl-(3-methoxyphenyl)methanone has a molecular weight of 216.28 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-(3-methoxyphenyl)methanone is sourced from PubChem (CID 175706022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).