2-hydroxy-5-(4-hydroxycyclohexyl)benzaldehyde

C13H16O3 — CID 130417270

IUPAC2-hydroxy-5-(4-hydroxycyclohexyl)benzaldehyde
SMILESO=Cc1cc(C2CCC(O)CC2)ccc1O
InChIInChI=1S/C13H16O3/c14-8-11-7-10(3-6-13(11)16)9-1-4-12(15)5-2-9/h3,6-9,12,15-16H,1-2,4-5H2
InChIKeyVRCBURALVDLQKQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.22
Rot. Bonds2

About 2-hydroxy-5-(4-hydroxycyclohexyl)benzaldehyde

2-hydroxy-5-(4-hydroxycyclohexyl)benzaldehyde (PubChem CID 130417270) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-hydroxy-5-(4-hydroxycyclohexyl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-(4-hydroxycyclohexyl)benzaldehyde
PubChem CID130417270
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-hydroxy-5-(4-hydroxycyclohexyl)benzaldehyde
SMILESO=Cc1cc(C2CCC(O)CC2)ccc1O
InChIInChI=1S/C13H16O3/c14-8-11-7-10(3-6-13(11)16)9-1-4-12(15)5-2-9/h3,6-9,12,15-16H,1-2,4-5H2
InChIKeyVRCBURALVDLQKQ-UHFFFAOYSA-N
XLogP2.22
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(4-hydroxycyclohexyl)benzaldehyde?
The IUPAC name of 2-hydroxy-5-(4-hydroxycyclohexyl)benzaldehyde (CID 130417270) is 2-hydroxy-5-(4-hydroxycyclohexyl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-5-(4-hydroxycyclohexyl)benzaldehyde?
The canonical SMILES for 2-hydroxy-5-(4-hydroxycyclohexyl)benzaldehyde is O=Cc1cc(C2CCC(O)CC2)ccc1O.
What is the InChIKey of 2-hydroxy-5-(4-hydroxycyclohexyl)benzaldehyde?
The InChIKey is VRCBURALVDLQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c14-8-11-7-10(3-6-13(11)16)9-1-4-12(15)5-2-9/h3,6-9,12,15-16H,1-2,4-5H2.
What are the key properties of 2-hydroxy-5-(4-hydroxycyclohexyl)benzaldehyde?
2-hydroxy-5-(4-hydroxycyclohexyl)benzaldehyde has a molecular weight of 220.27 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(4-hydroxycyclohexyl)benzaldehyde is sourced from PubChem (CID 130417270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).