2-cyclohex-2-en-1-yl-1-benzofuran-3-carbaldehyde

C15H14O2 — CID 46868100

IUPAC2-cyclohex-2-en-1-yl-1-benzofuran-3-carbaldehyde
SMILESO=Cc1c(C2C=CCCC2)oc2ccccc12
InChIInChI=1S/C15H14O2/c16-10-13-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h2,4-6,8-11H,1,3,7H2
InChIKeyPYZRUORYJCPWNJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP4.07
Rot. Bonds2

About 2-cyclohex-2-en-1-yl-1-benzofuran-3-carbaldehyde

2-cyclohex-2-en-1-yl-1-benzofuran-3-carbaldehyde (PubChem CID 46868100) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-yl-1-benzofuran-3-carbaldehyde.

Molecular Properties

Compound Name2-cyclohex-2-en-1-yl-1-benzofuran-3-carbaldehyde
PubChem CID46868100
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name2-cyclohex-2-en-1-yl-1-benzofuran-3-carbaldehyde
SMILESO=Cc1c(C2C=CCCC2)oc2ccccc12
InChIInChI=1S/C15H14O2/c16-10-13-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h2,4-6,8-11H,1,3,7H2
InChIKeyPYZRUORYJCPWNJ-UHFFFAOYSA-N
XLogP4.07
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium 3-formyl-1-benzofuran-2-thiolate
CID 135057802
2-pyridin-4-yl-1-benzofuran-3-carbaldehyde
CID 28966770
2-(2-bromophenyl)-1-benzofuran-3-carbaldehyde
CID 102367766
2-[(1R)-cyclohex-2-en-1-yl]aniline
CID 88997011
2-[(2Z)-cyclooct-2-en-1-yl]-1,3-benzoxazole
CID 132604219
2-cyclooctylchromen-4-one
CID 122213759
2-benzyl-5-cyclohex-2-en-1-yl-4-(4-methylsulfonylphenyl)-1,3-oxazole
CID 18701626
2-cyclopropyl-5-methoxy-1-benzofuran-3-carbaldehyde
CID 36995432
2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde
CID 12550686
2-pentyl-1-benzofuran-3-carbaldehyde
CID 87462287
8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene
CID 142466952
3-(ethylamino)-2-oxochromene-4-carbaldehyde
CID 141363714

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-2-en-1-yl-1-benzofuran-3-carbaldehyde?
The IUPAC name of 2-cyclohex-2-en-1-yl-1-benzofuran-3-carbaldehyde (CID 46868100) is 2-cyclohex-2-en-1-yl-1-benzofuran-3-carbaldehyde.
What is the SMILES notation for 2-cyclohex-2-en-1-yl-1-benzofuran-3-carbaldehyde?
The canonical SMILES for 2-cyclohex-2-en-1-yl-1-benzofuran-3-carbaldehyde is O=Cc1c(C2C=CCCC2)oc2ccccc12.
What is the InChIKey of 2-cyclohex-2-en-1-yl-1-benzofuran-3-carbaldehyde?
The InChIKey is PYZRUORYJCPWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c16-10-13-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h2,4-6,8-11H,1,3,7H2.
What are the key properties of 2-cyclohex-2-en-1-yl-1-benzofuran-3-carbaldehyde?
2-cyclohex-2-en-1-yl-1-benzofuran-3-carbaldehyde has a molecular weight of 226.28 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-yl-1-benzofuran-3-carbaldehyde is sourced from PubChem (CID 46868100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).