5-chloro-2-(2-hydroxycyclohexyl)oxybenzaldehyde

C13H15ClO3 — CID 60884420

IUPAC5-chloro-2-(2-hydroxycyclohexyl)oxybenzaldehyde
SMILESO=Cc1cc(Cl)ccc1OC1CCCCC1O
InChIInChI=1S/C13H15ClO3/c14-10-5-6-12(9(7-10)8-15)17-13-4-2-1-3-11(13)16/h5-8,11,13,16H,1-4H2
InChIKeyAPMRNOMRBVKBRT-UHFFFAOYSA-N
MW254.71 g/mol
LogP2.83
Rot. Bonds3

About 5-chloro-2-(2-hydroxycyclohexyl)oxybenzaldehyde

5-chloro-2-(2-hydroxycyclohexyl)oxybenzaldehyde (PubChem CID 60884420) has the molecular formula C13H15ClO3 and a molecular weight of 254.71 g/mol. Its IUPAC name is 5-chloro-2-(2-hydroxycyclohexyl)oxybenzaldehyde.

Molecular Properties

Compound Name5-chloro-2-(2-hydroxycyclohexyl)oxybenzaldehyde
PubChem CID60884420
Molecular FormulaC13H15ClO3
Molecular Weight254.71 g/mol
Exact Mass254.07
IUPAC Name5-chloro-2-(2-hydroxycyclohexyl)oxybenzaldehyde
SMILESO=Cc1cc(Cl)ccc1OC1CCCCC1O
InChIInChI=1S/C13H15ClO3/c14-10-5-6-12(9(7-10)8-15)17-13-4-2-1-3-11(13)16/h5-8,11,13,16H,1-4H2
InChIKeyAPMRNOMRBVKBRT-UHFFFAOYSA-N
XLogP2.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenoxy)cyclohexan-1-ol
CID 60728407
2-(2-hydroxycyclopentyl)oxy-5-methoxybenzaldehyde
CID 60883746
trans-(1S,2S)-2-(2-bromo-4-chlorophenoxy)cyclopentan-1-ol
CID 102735425
2-(2-hydroxycyclopentyl)oxybenzaldehyde
CID 60886689
trans-(1S,2S)-2-(5-chloro-2-methylphenoxy)cyclopentan-1-ol
CID 102735536
3-fluoro-4-(2-hydroxycyclohexyl)oxybenzaldehyde
CID 107689607
3-(2-hydroxycyclohexyl)oxy-4-methoxybenzaldehyde
CID 60883976
4-chloro-2-(2-hydroxycyclohexyl)oxybenzonitrile
CID 113277308
4-chloro-2-(2-hydroxycycloheptyl)oxybenzonitrile
CID 113277283
trans-(1S,2S)-2-(4-bromo-2-chlorophenoxy)cyclohexan-1-ol
CID 102732484
trans-(1S,2S)-2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol
CID 102735372
2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol
CID 60877836

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-hydroxycyclohexyl)oxybenzaldehyde?
The IUPAC name of 5-chloro-2-(2-hydroxycyclohexyl)oxybenzaldehyde (CID 60884420) is 5-chloro-2-(2-hydroxycyclohexyl)oxybenzaldehyde.
What is the SMILES notation for 5-chloro-2-(2-hydroxycyclohexyl)oxybenzaldehyde?
The canonical SMILES for 5-chloro-2-(2-hydroxycyclohexyl)oxybenzaldehyde is O=Cc1cc(Cl)ccc1OC1CCCCC1O.
What is the InChIKey of 5-chloro-2-(2-hydroxycyclohexyl)oxybenzaldehyde?
The InChIKey is APMRNOMRBVKBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO3/c14-10-5-6-12(9(7-10)8-15)17-13-4-2-1-3-11(13)16/h5-8,11,13,16H,1-4H2.
What are the key properties of 5-chloro-2-(2-hydroxycyclohexyl)oxybenzaldehyde?
5-chloro-2-(2-hydroxycyclohexyl)oxybenzaldehyde has a molecular weight of 254.71 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-hydroxycyclohexyl)oxybenzaldehyde is sourced from PubChem (CID 60884420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).