(2-hydroxycyclohexyl) 2-formylbenzoate

C14H16O4 — CID 86121789

IUPAC(2-hydroxycyclohexyl) 2-formylbenzoate
SMILESO=Cc1ccccc1C(=O)OC1CCCCC1O
InChIInChI=1S/C14H16O4/c15-9-10-5-1-2-6-11(10)14(17)18-13-8-4-3-7-12(13)16/h1-2,5-6,9,12-13,16H,3-4,7-8H2
InChIKeyNFYVNJOMFHTWHA-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.96
Rot. Bonds3

About (2-hydroxycyclohexyl) 2-formylbenzoate

(2-hydroxycyclohexyl) 2-formylbenzoate (PubChem CID 86121789) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2-hydroxycyclohexyl) 2-formylbenzoate.

Molecular Properties

Compound Name(2-hydroxycyclohexyl) 2-formylbenzoate
PubChem CID86121789
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name(2-hydroxycyclohexyl) 2-formylbenzoate
SMILESO=Cc1ccccc1C(=O)OC1CCCCC1O
InChIInChI=1S/C14H16O4/c15-9-10-5-1-2-6-11(10)14(17)18-13-8-4-3-7-12(13)16/h1-2,5-6,9,12-13,16H,3-4,7-8H2
InChIKeyNFYVNJOMFHTWHA-UHFFFAOYSA-N
XLogP1.96
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2R)-2-hydroxycycloheptyl] benzoate
CID 56958407
2-(2-hydroxycyclopentyl)oxybenzaldehyde
CID 60886689
[2-(2-fluorobenzoyl)oxycyclohexyl] 2-fluorobenzoate
CID 45155689
3-bromo-2-(2-hydroxycyclopentyl)oxybenzaldehyde
CID 61391436
3-fluoro-2-(2-hydroxycyclopentyl)oxybenzaldehyde
CID 112611768
dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913
(2-methylcyclohexyl) 2-(2-methylcyclohexyl)oxybenzoate
CID 57133413
cyclohexyl 2-[(E)-(methylhydrazinylidene)methyl]benzoate
CID 172922980
(2-ethylcyclohexyl) 2-acetylbenzoate
CID 123724053
[(1R,2R)-2-hydroxycyclohexyl] 4-(dimethylamino)benzoate
CID 15087947
cyclohexyl 2-formyloxybenzoate
CID 54103583
2-formylbenzoyl iodide
CID 88830490

Frequently Asked Questions

What is the IUPAC name of (2-hydroxycyclohexyl) 2-formylbenzoate?
The IUPAC name of (2-hydroxycyclohexyl) 2-formylbenzoate (CID 86121789) is (2-hydroxycyclohexyl) 2-formylbenzoate.
What is the SMILES notation for (2-hydroxycyclohexyl) 2-formylbenzoate?
The canonical SMILES for (2-hydroxycyclohexyl) 2-formylbenzoate is O=Cc1ccccc1C(=O)OC1CCCCC1O.
What is the InChIKey of (2-hydroxycyclohexyl) 2-formylbenzoate?
The InChIKey is NFYVNJOMFHTWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c15-9-10-5-1-2-6-11(10)14(17)18-13-8-4-3-7-12(13)16/h1-2,5-6,9,12-13,16H,3-4,7-8H2.
What are the key properties of (2-hydroxycyclohexyl) 2-formylbenzoate?
(2-hydroxycyclohexyl) 2-formylbenzoate has a molecular weight of 248.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxycyclohexyl) 2-formylbenzoate is sourced from PubChem (CID 86121789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).