3-(2-hydroxycyclohexyl)oxy-4-methoxybenzaldehyde

C14H18O4 — CID 60883976

IUPAC3-(2-hydroxycyclohexyl)oxy-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1OC1CCCCC1O
InChIInChI=1S/C14H18O4/c1-17-13-7-6-10(9-15)8-14(13)18-12-5-3-2-4-11(12)16/h6-9,11-12,16H,2-5H2,1H3
InChIKeyWDWHZKNEFOVQKF-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.19
Rot. Bonds4

About 3-(2-hydroxycyclohexyl)oxy-4-methoxybenzaldehyde

3-(2-hydroxycyclohexyl)oxy-4-methoxybenzaldehyde (PubChem CID 60883976) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 3-(2-hydroxycyclohexyl)oxy-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-(2-hydroxycyclohexyl)oxy-4-methoxybenzaldehyde
PubChem CID60883976
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name3-(2-hydroxycyclohexyl)oxy-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1OC1CCCCC1O
InChIInChI=1S/C14H18O4/c1-17-13-7-6-10(9-15)8-14(13)18-12-5-3-2-4-11(12)16/h6-9,11-12,16H,2-5H2,1H3
InChIKeyWDWHZKNEFOVQKF-UHFFFAOYSA-N
XLogP2.19
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.19
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

3-fluoro-4-(2-hydroxycyclohexyl)oxybenzaldehyde
CID 107689607
bromocyclopentane;3-cyclopentyloxy-4-methoxybenzaldehyde;3-hydroxy-4-methoxybenzaldehyde;hydroiodide
CID 158018950
3-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxybenzaldehyde
CID 129362758
3-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxybenzaldehyde
CID 14010156
2-(2-hydroxycyclopentyl)oxy-5-methoxybenzaldehyde
CID 60883746
trans-(1S,2S)-2-(2-methoxy-5-nitrophenoxy)cyclohexan-1-ol
CID 102732545
4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde
CID 87176687
4-(2-hydroxycyclopentyl)oxybenzaldehyde
CID 60886464
4-methoxy-3-[(3R)-oxolan-3-yl]oxybenzaldehyde
CID 54175149
(4-formyl-2-methoxyphenyl) cyclohexanecarboxylate
CID 4504529
5-chloro-2-(2-hydroxycyclohexyl)oxybenzaldehyde
CID 60884420
3-hydroxy-4-methoxybenzaldehyde
CID 87256894

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxycyclohexyl)oxy-4-methoxybenzaldehyde?
The IUPAC name of 3-(2-hydroxycyclohexyl)oxy-4-methoxybenzaldehyde (CID 60883976) is 3-(2-hydroxycyclohexyl)oxy-4-methoxybenzaldehyde.
What is the SMILES notation for 3-(2-hydroxycyclohexyl)oxy-4-methoxybenzaldehyde?
The canonical SMILES for 3-(2-hydroxycyclohexyl)oxy-4-methoxybenzaldehyde is COc1ccc(C=O)cc1OC1CCCCC1O.
What is the InChIKey of 3-(2-hydroxycyclohexyl)oxy-4-methoxybenzaldehyde?
The InChIKey is WDWHZKNEFOVQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-17-13-7-6-10(9-15)8-14(13)18-12-5-3-2-4-11(12)16/h6-9,11-12,16H,2-5H2,1H3.
What are the key properties of 3-(2-hydroxycyclohexyl)oxy-4-methoxybenzaldehyde?
3-(2-hydroxycyclohexyl)oxy-4-methoxybenzaldehyde has a molecular weight of 250.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxycyclohexyl)oxy-4-methoxybenzaldehyde is sourced from PubChem (CID 60883976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).