3-cycloheptyl-4-hydroxybenzaldehyde

C14H18O2 — CID 155670668

IUPAC3-cycloheptyl-4-hydroxybenzaldehyde
SMILESO=Cc1ccc(O)c(C2CCCCCC2)c1
InChIInChI=1S/C14H18O2/c15-10-11-7-8-14(16)13(9-11)12-5-3-1-2-4-6-12/h7-10,12,16H,1-6H2
InChIKeyVBQUNBOTBSSTKW-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.64
Rot. Bonds2

About 3-cycloheptyl-4-hydroxybenzaldehyde

3-cycloheptyl-4-hydroxybenzaldehyde (PubChem CID 155670668) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-cycloheptyl-4-hydroxybenzaldehyde.

Molecular Properties

Compound Name3-cycloheptyl-4-hydroxybenzaldehyde
PubChem CID155670668
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name3-cycloheptyl-4-hydroxybenzaldehyde
SMILESO=Cc1ccc(O)c(C2CCCCCC2)c1
InChIInChI=1S/C14H18O2/c15-10-11-7-8-14(16)13(9-11)12-5-3-1-2-4-6-12/h7-10,12,16H,1-6H2
InChIKeyVBQUNBOTBSSTKW-UHFFFAOYSA-N
XLogP3.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.64
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 3-cycloheptyl-4-hydroxybenzaldehyde?
The IUPAC name of 3-cycloheptyl-4-hydroxybenzaldehyde (CID 155670668) is 3-cycloheptyl-4-hydroxybenzaldehyde.
What is the SMILES notation for 3-cycloheptyl-4-hydroxybenzaldehyde?
The canonical SMILES for 3-cycloheptyl-4-hydroxybenzaldehyde is O=Cc1ccc(O)c(C2CCCCCC2)c1.
What is the InChIKey of 3-cycloheptyl-4-hydroxybenzaldehyde?
The InChIKey is VBQUNBOTBSSTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c15-10-11-7-8-14(16)13(9-11)12-5-3-1-2-4-6-12/h7-10,12,16H,1-6H2.
What are the key properties of 3-cycloheptyl-4-hydroxybenzaldehyde?
3-cycloheptyl-4-hydroxybenzaldehyde has a molecular weight of 218.30 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-4-hydroxybenzaldehyde is sourced from PubChem (CID 155670668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).