4-(1-hydroxycyclobutyl)benzaldehyde

C11H12O2 — CID 156800908

IUPAC4-(1-hydroxycyclobutyl)benzaldehyde
SMILESO=Cc1ccc(C2(O)CCC2)cc1
InChIInChI=1S/C11H12O2/c12-8-9-2-4-10(5-3-9)11(13)6-1-7-11/h2-5,8,13H,1,6-7H2
InChIKeySGJBGRKHFNGFQO-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.87
Rot. Bonds2

About 4-(1-hydroxycyclobutyl)benzaldehyde

4-(1-hydroxycyclobutyl)benzaldehyde (PubChem CID 156800908) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-(1-hydroxycyclobutyl)benzaldehyde.

Molecular Properties

Compound Name4-(1-hydroxycyclobutyl)benzaldehyde
PubChem CID156800908
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name4-(1-hydroxycyclobutyl)benzaldehyde
SMILESO=Cc1ccc(C2(O)CCC2)cc1
InChIInChI=1S/C11H12O2/c12-8-9-2-4-10(5-3-9)11(13)6-1-7-11/h2-5,8,13H,1,6-7H2
InChIKeySGJBGRKHFNGFQO-UHFFFAOYSA-N
XLogP1.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxycyclobutyl)benzaldehyde?
The IUPAC name of 4-(1-hydroxycyclobutyl)benzaldehyde (CID 156800908) is 4-(1-hydroxycyclobutyl)benzaldehyde.
What is the SMILES notation for 4-(1-hydroxycyclobutyl)benzaldehyde?
The canonical SMILES for 4-(1-hydroxycyclobutyl)benzaldehyde is O=Cc1ccc(C2(O)CCC2)cc1.
What is the InChIKey of 4-(1-hydroxycyclobutyl)benzaldehyde?
The InChIKey is SGJBGRKHFNGFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-8-9-2-4-10(5-3-9)11(13)6-1-7-11/h2-5,8,13H,1,6-7H2.
What are the key properties of 4-(1-hydroxycyclobutyl)benzaldehyde?
4-(1-hydroxycyclobutyl)benzaldehyde has a molecular weight of 176.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxycyclobutyl)benzaldehyde is sourced from PubChem (CID 156800908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).