2-(2-hydroxycyclopentyl)oxybenzaldehyde

C12H14O3 — CID 60886689

IUPAC2-(2-hydroxycyclopentyl)oxybenzaldehyde
SMILESO=Cc1ccccc1OC1CCCC1O
InChIInChI=1S/C12H14O3/c13-8-9-4-1-2-6-11(9)15-12-7-3-5-10(12)14/h1-2,4,6,8,10,12,14H,3,5,7H2
InChIKeyJSKLZCPCAMXZBM-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.79
Rot. Bonds3

About 2-(2-hydroxycyclopentyl)oxybenzaldehyde

2-(2-hydroxycyclopentyl)oxybenzaldehyde (PubChem CID 60886689) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(2-hydroxycyclopentyl)oxybenzaldehyde.

Molecular Properties

Compound Name2-(2-hydroxycyclopentyl)oxybenzaldehyde
PubChem CID60886689
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-(2-hydroxycyclopentyl)oxybenzaldehyde
SMILESO=Cc1ccccc1OC1CCCC1O
InChIInChI=1S/C12H14O3/c13-8-9-4-1-2-6-11(9)15-12-7-3-5-10(12)14/h1-2,4,6,8,10,12,14H,3,5,7H2
InChIKeyJSKLZCPCAMXZBM-UHFFFAOYSA-N
XLogP1.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-hydroxycyclopentyl)oxybenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol
CID 139056269
5-chloro-2-(2-hydroxycyclohexyl)oxybenzaldehyde
CID 60884420
2-(2-hydroxycyclopentyl)oxy-5-methoxybenzaldehyde
CID 60883746
trans-(1R,2R)-2-(2-ethylphenoxy)cyclopentan-1-ol
CID 102735342
3-fluoro-2-(2-hydroxycyclopentyl)oxybenzaldehyde
CID 112611768
3-bromo-2-(2-hydroxycyclopentyl)oxybenzaldehyde
CID 61391436
trans-(1S,2S)-2-(2-ethylphenoxy)cyclohexan-1-ol
CID 102732480
(2-hydroxycyclohexyl) 2-formylbenzoate
CID 86121789
2-(2-bromophenoxy)cyclooctan-1-ol
CID 22247716
2-(2,3-dichlorophenoxy)cyclopentan-1-ol
CID 60878793
2-[2-[(1S)-1-aminoethyl]phenoxy]cyclopentan-1-ol
CID 78936328
2-[2-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenoxy]cyclohexan-1-ol
CID 171111814

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycyclopentyl)oxybenzaldehyde?
The IUPAC name of 2-(2-hydroxycyclopentyl)oxybenzaldehyde (CID 60886689) is 2-(2-hydroxycyclopentyl)oxybenzaldehyde.
What is the SMILES notation for 2-(2-hydroxycyclopentyl)oxybenzaldehyde?
The canonical SMILES for 2-(2-hydroxycyclopentyl)oxybenzaldehyde is O=Cc1ccccc1OC1CCCC1O.
What is the InChIKey of 2-(2-hydroxycyclopentyl)oxybenzaldehyde?
The InChIKey is JSKLZCPCAMXZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-8-9-4-1-2-6-11(9)15-12-7-3-5-10(12)14/h1-2,4,6,8,10,12,14H,3,5,7H2.
What are the key properties of 2-(2-hydroxycyclopentyl)oxybenzaldehyde?
2-(2-hydroxycyclopentyl)oxybenzaldehyde has a molecular weight of 206.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycyclopentyl)oxybenzaldehyde is sourced from PubChem (CID 60886689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).