2-(2-hydroxycyclopentyl)oxy-5-methoxybenzaldehyde

C13H16O4 — CID 60883746

IUPAC2-(2-hydroxycyclopentyl)oxy-5-methoxybenzaldehyde
SMILESCOc1ccc(OC2CCCC2O)c(C=O)c1
InChIInChI=1S/C13H16O4/c1-16-10-5-6-12(9(7-10)8-14)17-13-4-2-3-11(13)15/h5-8,11,13,15H,2-4H2,1H3
InChIKeyHTSVEYJMNSZVHS-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.80
Rot. Bonds4

About 2-(2-hydroxycyclopentyl)oxy-5-methoxybenzaldehyde

2-(2-hydroxycyclopentyl)oxy-5-methoxybenzaldehyde (PubChem CID 60883746) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(2-hydroxycyclopentyl)oxy-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(2-hydroxycyclopentyl)oxy-5-methoxybenzaldehyde
PubChem CID60883746
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name2-(2-hydroxycyclopentyl)oxy-5-methoxybenzaldehyde
SMILESCOc1ccc(OC2CCCC2O)c(C=O)c1
InChIInChI=1S/C13H16O4/c1-16-10-5-6-12(9(7-10)8-14)17-13-4-2-3-11(13)15/h5-8,11,13,15H,2-4H2,1H3
InChIKeyHTSVEYJMNSZVHS-UHFFFAOYSA-N
XLogP1.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxy-2-nitrophenoxy)cyclopentan-1-ol
CID 60879534
2-(2-hydroxycyclopentyl)oxybenzaldehyde
CID 60886689
3-(2-hydroxycyclohexyl)oxy-4-methoxybenzaldehyde
CID 60883976
2-(4-methoxy-3-nitrophenoxy)cyclopentan-1-ol
CID 103202112
cyclopentyl (2-formyl-4-methoxyphenyl) carbonate
CID 87274069
2-(2-ethylcyclohexyl)oxy-4-methoxybenzaldehyde
CID 63862151
4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde
CID 87176687
4-(2-hydroxycyclopentyl)oxybenzaldehyde
CID 60886464
2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864
2-(2-chloroethoxy)-5-methoxybenzaldehyde
CID 3828469
2-(3,5-dimethoxyphenoxy)cyclohexan-1-ol
CID 60878416
trans-(1S,2S)-2-(2-methoxy-5-nitrophenoxy)cyclohexan-1-ol
CID 102732545

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycyclopentyl)oxy-5-methoxybenzaldehyde?
The IUPAC name of 2-(2-hydroxycyclopentyl)oxy-5-methoxybenzaldehyde (CID 60883746) is 2-(2-hydroxycyclopentyl)oxy-5-methoxybenzaldehyde.
What is the SMILES notation for 2-(2-hydroxycyclopentyl)oxy-5-methoxybenzaldehyde?
The canonical SMILES for 2-(2-hydroxycyclopentyl)oxy-5-methoxybenzaldehyde is COc1ccc(OC2CCCC2O)c(C=O)c1.
What is the InChIKey of 2-(2-hydroxycyclopentyl)oxy-5-methoxybenzaldehyde?
The InChIKey is HTSVEYJMNSZVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-16-10-5-6-12(9(7-10)8-14)17-13-4-2-3-11(13)15/h5-8,11,13,15H,2-4H2,1H3.
What are the key properties of 2-(2-hydroxycyclopentyl)oxy-5-methoxybenzaldehyde?
2-(2-hydroxycyclopentyl)oxy-5-methoxybenzaldehyde has a molecular weight of 236.27 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycyclopentyl)oxy-5-methoxybenzaldehyde is sourced from PubChem (CID 60883746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).