4-[(1-hydroxycyclopentyl)methoxy]benzaldehyde

C13H16O3 — CID 65210804

IUPAC4-[(1-hydroxycyclopentyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCC2(O)CCCC2)cc1
InChIInChI=1S/C13H16O3/c14-9-11-3-5-12(6-4-11)16-10-13(15)7-1-2-8-13/h3-6,9,15H,1-2,7-8,10H2
InChIKeyUCHGWCJULHXQAG-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.18
Rot. Bonds4

About 4-[(1-hydroxycyclopentyl)methoxy]benzaldehyde

4-[(1-hydroxycyclopentyl)methoxy]benzaldehyde (PubChem CID 65210804) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-[(1-hydroxycyclopentyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name4-[(1-hydroxycyclopentyl)methoxy]benzaldehyde
PubChem CID65210804
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name4-[(1-hydroxycyclopentyl)methoxy]benzaldehyde
SMILESO=Cc1ccc(OCC2(O)CCCC2)cc1
InChIInChI=1S/C13H16O3/c14-9-11-3-5-12(6-4-11)16-10-13(15)7-1-2-8-13/h3-6,9,15H,1-2,7-8,10H2
InChIKeyUCHGWCJULHXQAG-UHFFFAOYSA-N
XLogP2.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(1-hydroxycyclopentyl)methoxy]benzaldehyde 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

4-[(4-formylphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106497494
4-[(1-hydroxycyclopentyl)methoxy]benzamide
CID 65212408
1-[(4-phenylphenoxy)methyl]cyclopentan-1-ol
CID 65212692
4-[(1-hydroxycyclohexyl)methoxy]benzonitrile
CID 65213795
1-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]cyclobutan-1-ol
CID 167932975
ethane;1-[[4-[[4-[(1-hydroxycyclobutyl)methoxy]phenyl]disulfanyl]phenoxy]methyl]cyclobutan-1-ol
CID 171804959
4-[(2-methyl-1,3-dithian-2-yl)methoxy]benzaldehyde
CID 101433894
4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446164
1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol
CID 79004891
13-[(4-hydroxy-1,1-dioxothian-4-yl)methoxy]tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carbaldehyde
CID 118619239
1-(naphthalen-2-yloxymethyl)cyclohexan-1-ol
CID 65213943
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxycyclopentyl)methoxy]benzaldehyde?
The IUPAC name of 4-[(1-hydroxycyclopentyl)methoxy]benzaldehyde (CID 65210804) is 4-[(1-hydroxycyclopentyl)methoxy]benzaldehyde.
What is the SMILES notation for 4-[(1-hydroxycyclopentyl)methoxy]benzaldehyde?
The canonical SMILES for 4-[(1-hydroxycyclopentyl)methoxy]benzaldehyde is O=Cc1ccc(OCC2(O)CCCC2)cc1.
What is the InChIKey of 4-[(1-hydroxycyclopentyl)methoxy]benzaldehyde?
The InChIKey is UCHGWCJULHXQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c14-9-11-3-5-12(6-4-11)16-10-13(15)7-1-2-8-13/h3-6,9,15H,1-2,7-8,10H2.
What are the key properties of 4-[(1-hydroxycyclopentyl)methoxy]benzaldehyde?
4-[(1-hydroxycyclopentyl)methoxy]benzaldehyde has a molecular weight of 220.27 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxycyclopentyl)methoxy]benzaldehyde is sourced from PubChem (CID 65210804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).