1-(2-cyclohex-2-en-1-ylethynyl)-2-methoxybenzene

C15H16O — CID 13170356

IUPAC1-(2-cyclohex-2-en-1-ylethynyl)-2-methoxybenzene
SMILESCOc1ccccc1C#CC1C=CCCC1
InChIInChI=1S/C15H16O/c1-16-15-10-6-5-9-14(15)12-11-13-7-3-2-4-8-13/h3,5-7,9-10,13H,2,4,8H2,1H3
InChIKeyPFUUJOSNXWRIAJ-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.40
Rot. Bonds1

About 1-(2-cyclohex-2-en-1-ylethynyl)-2-methoxybenzene

1-(2-cyclohex-2-en-1-ylethynyl)-2-methoxybenzene (PubChem CID 13170356) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(2-cyclohex-2-en-1-ylethynyl)-2-methoxybenzene.

Molecular Properties

Compound Name1-(2-cyclohex-2-en-1-ylethynyl)-2-methoxybenzene
PubChem CID13170356
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name1-(2-cyclohex-2-en-1-ylethynyl)-2-methoxybenzene
SMILESCOc1ccccc1C#CC1C=CCCC1
InChIInChI=1S/C15H16O/c1-16-15-10-6-5-9-14(15)12-11-13-7-3-2-4-8-13/h3,5-7,9-10,13H,2,4,8H2,1H3
InChIKeyPFUUJOSNXWRIAJ-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene
CID 11313747
3-(2-cyclohex-2-en-1-ylethynyl)phenol
CID 154717764
2-cyclohex-2-en-1-yl-1,3-dimethoxybenzene
CID 11424515
1-(3-bromoprop-1-ynyl)-2-methoxybenzene
CID 19973041
3-(2-cyclohex-2-en-1-ylethynyl)pyridine
CID 154717923
(1Z)-3-(2-methoxyphenyl)cyclooctene
CID 144754683
2-cyclohex-2-en-1-yl-4-methoxyquinoline
CID 20743625
2-cyclopentyloxy-3-methoxybenzonitrile
CID 117309455
2-(2-methoxyphenyl)ethynyl-trimethylsilane
CID 5140915
2-(2-methoxyphenyl)ethynyl-phenyliodanium
CID 71725486
1-[(1R)-cyclopent-2-en-1-yl]-2-methoxybenzene
CID 2327236
2-[2-[2-methoxy-4-[2-[2-methoxy-4-[2-(2-methoxyphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzonitrile
CID 102074899

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohex-2-en-1-ylethynyl)-2-methoxybenzene?
The IUPAC name of 1-(2-cyclohex-2-en-1-ylethynyl)-2-methoxybenzene (CID 13170356) is 1-(2-cyclohex-2-en-1-ylethynyl)-2-methoxybenzene.
What is the SMILES notation for 1-(2-cyclohex-2-en-1-ylethynyl)-2-methoxybenzene?
The canonical SMILES for 1-(2-cyclohex-2-en-1-ylethynyl)-2-methoxybenzene is COc1ccccc1C#CC1C=CCCC1.
What is the InChIKey of 1-(2-cyclohex-2-en-1-ylethynyl)-2-methoxybenzene?
The InChIKey is PFUUJOSNXWRIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-16-15-10-6-5-9-14(15)12-11-13-7-3-2-4-8-13/h3,5-7,9-10,13H,2,4,8H2,1H3.
What are the key properties of 1-(2-cyclohex-2-en-1-ylethynyl)-2-methoxybenzene?
1-(2-cyclohex-2-en-1-ylethynyl)-2-methoxybenzene has a molecular weight of 212.29 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohex-2-en-1-ylethynyl)-2-methoxybenzene is sourced from PubChem (CID 13170356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).