3-fluoro-4-(2-hydroxycyclohexyl)oxybenzaldehyde

C13H15FO3 — CID 107689607

IUPAC3-fluoro-4-(2-hydroxycyclohexyl)oxybenzaldehyde
SMILESO=Cc1ccc(OC2CCCCC2O)c(F)c1
InChIInChI=1S/C13H15FO3/c14-10-7-9(8-15)5-6-12(10)17-13-4-2-1-3-11(13)16/h5-8,11,13,16H,1-4H2
InChIKeyFNFNMMVWWWSNOM-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.32
Rot. Bonds3

About 3-fluoro-4-(2-hydroxycyclohexyl)oxybenzaldehyde

3-fluoro-4-(2-hydroxycyclohexyl)oxybenzaldehyde (PubChem CID 107689607) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 3-fluoro-4-(2-hydroxycyclohexyl)oxybenzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-(2-hydroxycyclohexyl)oxybenzaldehyde
PubChem CID107689607
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name3-fluoro-4-(2-hydroxycyclohexyl)oxybenzaldehyde
SMILESO=Cc1ccc(OC2CCCCC2O)c(F)c1
InChIInChI=1S/C13H15FO3/c14-10-7-9(8-15)5-6-12(10)17-13-4-2-1-3-11(13)16/h5-8,11,13,16H,1-4H2
InChIKeyFNFNMMVWWWSNOM-UHFFFAOYSA-N
XLogP2.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.32
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

3-(2-hydroxycyclohexyl)oxy-4-methoxybenzaldehyde
CID 60883976
3,5-difluoro-4-(2-hydroxycyclohexyl)oxybenzaldehyde
CID 79891467
2-(2,4-difluorophenoxy)cyclopentan-1-ol
CID 60878215
5-chloro-2-(2-hydroxycyclohexyl)oxybenzaldehyde
CID 60884420
4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde
CID 87176687
4-(2-hydroxycyclopentyl)oxybenzaldehyde
CID 60886464
2-(2,5-difluorophenoxy)cyclohexan-1-ol
CID 63269274
trans-(1R,2R)-2-(2,5-difluorophenoxy)cyclohexan-1-ol
CID 102732616
3-fluoro-4-(3-oxocyclopentyl)oxybenzaldehyde
CID 107692050
2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]cyclopentan-1-ol
CID 107687600
2-(2-bromo-4-fluorophenoxy)cyclopentan-1-ol
CID 60712151
4-(cyclopropylmethoxy)-3-fluorobenzaldehyde
CID 20794858

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-hydroxycyclohexyl)oxybenzaldehyde?
The IUPAC name of 3-fluoro-4-(2-hydroxycyclohexyl)oxybenzaldehyde (CID 107689607) is 3-fluoro-4-(2-hydroxycyclohexyl)oxybenzaldehyde.
What is the SMILES notation for 3-fluoro-4-(2-hydroxycyclohexyl)oxybenzaldehyde?
The canonical SMILES for 3-fluoro-4-(2-hydroxycyclohexyl)oxybenzaldehyde is O=Cc1ccc(OC2CCCCC2O)c(F)c1.
What is the InChIKey of 3-fluoro-4-(2-hydroxycyclohexyl)oxybenzaldehyde?
The InChIKey is FNFNMMVWWWSNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c14-10-7-9(8-15)5-6-12(10)17-13-4-2-1-3-11(13)16/h5-8,11,13,16H,1-4H2.
What are the key properties of 3-fluoro-4-(2-hydroxycyclohexyl)oxybenzaldehyde?
3-fluoro-4-(2-hydroxycyclohexyl)oxybenzaldehyde has a molecular weight of 238.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-hydroxycyclohexyl)oxybenzaldehyde is sourced from PubChem (CID 107689607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).