2-hydroxy-6-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-3-methylbenzaldehyde

C20H30O4 — CID 86274823

IUPAC2-hydroxy-6-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-3-methylbenzaldehyde
SMILESCCCC(C)(O)C1CCCCC1COc1ccc(C)c(O)c1C=O
InChIInChI=1S/C20H30O4/c1-4-11-20(3,23)17-8-6-5-7-15(17)13-24-18-10-9-14(2)19(22)16(18)12-21/h9-10,12,15,17,22-23H,4-8,11,13H2,1-3H3
InChIKeyXKZOVPQOYHFLNO-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.25
Rot. Bonds7

About 2-hydroxy-6-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-3-methylbenzaldehyde

2-hydroxy-6-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-3-methylbenzaldehyde (PubChem CID 86274823) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-hydroxy-6-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-3-methylbenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-3-methylbenzaldehyde
PubChem CID86274823
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name2-hydroxy-6-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-3-methylbenzaldehyde
SMILESCCCC(C)(O)C1CCCCC1COc1ccc(C)c(O)c1C=O
InChIInChI=1S/C20H30O4/c1-4-11-20(3,23)17-8-6-5-7-15(17)13-24-18-10-9-14(2)19(22)16(18)12-21/h9-10,12,15,17,22-23H,4-8,11,13H2,1-3H3
InChIKeyXKZOVPQOYHFLNO-UHFFFAOYSA-N
XLogP4.25
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-hydroxy-6-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-3-methylbenzaldehyde 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

3-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-6-methylpyridine-2-carbaldehyde
CID 118867820
6-[(2-butan-2-ylcyclohexyl)methoxy]-2-hydroxy-3-methylbenzaldehyde
CID 144709960
3-chloro-2-hydroxy-6-[[2-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]benzaldehyde
CID 86275548
3-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde
CID 90428188
2-hydroxy-6-[[2-(2-hydroxybutan-2-yl)cyclohexen-1-yl]methoxy]-3-methylbenzaldehyde
CID 90434200
2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexyl]butan-2-ol
CID 90426363
5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-1H-pyridin-2-one
CID 90426470
2-[2-[(6-methyl-3-pyridinyl)oxymethyl]cyclohexyl]propan-2-ol
CID 90427949
3-ethoxy-6-methylphthalaldehyde
CID 171004125
4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethoxy)-3-methylphenol
CID 90281584
1-(2-ethylcyclohexyl)-1-(2-methylphenyl)ethanol
CID 55251269
3-hydroxy-5-[(2-phenylcyclohexyl)methoxy]pyridine-4-carbaldehyde
CID 90426908

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-3-methylbenzaldehyde?
The IUPAC name of 2-hydroxy-6-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-3-methylbenzaldehyde (CID 86274823) is 2-hydroxy-6-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-3-methylbenzaldehyde.
What is the SMILES notation for 2-hydroxy-6-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-3-methylbenzaldehyde?
The canonical SMILES for 2-hydroxy-6-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-3-methylbenzaldehyde is CCCC(C)(O)C1CCCCC1COc1ccc(C)c(O)c1C=O.
What is the InChIKey of 2-hydroxy-6-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-3-methylbenzaldehyde?
The InChIKey is XKZOVPQOYHFLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O4/c1-4-11-20(3,23)17-8-6-5-7-15(17)13-24-18-10-9-14(2)19(22)16(18)12-21/h9-10,12,15,17,22-23H,4-8,11,13H2,1-3H3.
What are the key properties of 2-hydroxy-6-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-3-methylbenzaldehyde?
2-hydroxy-6-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-3-methylbenzaldehyde has a molecular weight of 334.46 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[[2-(2-hydroxypentan-2-yl)cyclohexyl]methoxy]-3-methylbenzaldehyde is sourced from PubChem (CID 86274823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).