4-hydroxyspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-carbaldehyde

C14H16O3 — CID 14639093

IUPAC4-hydroxyspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-carbaldehyde
SMILESO=Cc1ccc(O)c2c1OC1(CCCCC1)C2
InChIInChI=1S/C14H16O3/c15-9-10-4-5-12(16)11-8-14(17-13(10)11)6-2-1-3-7-14/h4-5,9,16H,1-3,6-8H2
InChIKeyHZGMFQYDVAJICV-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.84
Rot. Bonds1

About 4-hydroxyspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-carbaldehyde

4-hydroxyspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-carbaldehyde (PubChem CID 14639093) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-hydroxyspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-carbaldehyde.

Molecular Properties

Compound Name4-hydroxyspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-carbaldehyde
PubChem CID14639093
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name4-hydroxyspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-carbaldehyde
SMILESO=Cc1ccc(O)c2c1OC1(CCCCC1)C2
InChIInChI=1S/C14H16O3/c15-9-10-4-5-12(16)11-8-14(17-13(10)11)6-2-1-3-7-14/h4-5,9,16H,1-3,6-8H2
InChIKeyHZGMFQYDVAJICV-UHFFFAOYSA-N
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-2-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]-3H-1-benzofuran-7-carbaldehyde
CID 10401039
4-hydroxy-2-methyl-2-(4-methylcyclohex-3-en-1-yl)-3H-1-benzofuran-7-carbaldehyde
CID 19028266
4,6,7-trimethylspiro[3H-1-benzofuran-2,1'-cycloheptane]-5-ol
CID 15490498
spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-8-ol
CID 115097893
2-hydroxy-5-[1,2,2-tris(3-formyl-4-hydroxyphenyl)ethenyl]benzaldehyde
CID 146013313
6-hydroxy-2,2-dimethyl-3,4-dihydrochromene-7-carbaldehyde
CID 20818420
1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
CID 13074207
6-hydroxyspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 3243908
2-(1-aminocyclopentyl)-4-hydroxybenzaldehyde
CID 117293459
1-(8-formyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclobutane-1-carboxylic acid
CID 117409795
2-(2-hydroxyphenyl)-1-oxa-2-azaspiro[4.4]nonan-3-one
CID 105492607
1-(4-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl)ethanone
CID 121003381

Frequently Asked Questions

What is the IUPAC name of 4-hydroxyspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-carbaldehyde?
The IUPAC name of 4-hydroxyspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-carbaldehyde (CID 14639093) is 4-hydroxyspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-carbaldehyde.
What is the SMILES notation for 4-hydroxyspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-carbaldehyde?
The canonical SMILES for 4-hydroxyspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-carbaldehyde is O=Cc1ccc(O)c2c1OC1(CCCCC1)C2.
What is the InChIKey of 4-hydroxyspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-carbaldehyde?
The InChIKey is HZGMFQYDVAJICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c15-9-10-4-5-12(16)11-8-14(17-13(10)11)6-2-1-3-7-14/h4-5,9,16H,1-3,6-8H2.
What are the key properties of 4-hydroxyspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-carbaldehyde?
4-hydroxyspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-carbaldehyde has a molecular weight of 232.28 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyspiro[3H-1-benzofuran-2,1'-cyclohexane]-7-carbaldehyde is sourced from PubChem (CID 14639093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).