2-(10,12-dioxabicyclo[7.3.3]pentadecan-11-yl)-4,6-dimethylphenol

C21H32O3 — CID 166727631

IUPAC2-(10,12-dioxabicyclo[7.3.3]pentadecan-11-yl)-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(C2OC3CCCCCCCC(CCC3)O2)c1
InChIInChI=1S/C21H32O3/c1-15-13-16(2)20(22)19(14-15)21-23-17-9-6-4-3-5-7-10-18(24-21)12-8-11-17/h13-14,17-18,21-22H,3-12H2,1-2H3
InChIKeyFNPHPMFLOVZMRX-UHFFFAOYSA-N
MW332.48 g/mol
LogP5.71
Rot. Bonds1

About 2-(10,12-dioxabicyclo[7.3.3]pentadecan-11-yl)-4,6-dimethylphenol

2-(10,12-dioxabicyclo[7.3.3]pentadecan-11-yl)-4,6-dimethylphenol (PubChem CID 166727631) has the molecular formula C21H32O3 and a molecular weight of 332.48 g/mol. Its IUPAC name is 2-(10,12-dioxabicyclo[7.3.3]pentadecan-11-yl)-4,6-dimethylphenol.

Molecular Properties

Compound Name2-(10,12-dioxabicyclo[7.3.3]pentadecan-11-yl)-4,6-dimethylphenol
PubChem CID166727631
Molecular FormulaC21H32O3
Molecular Weight332.48 g/mol
Exact Mass332.24
IUPAC Name2-(10,12-dioxabicyclo[7.3.3]pentadecan-11-yl)-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(C2OC3CCCCCCCC(CCC3)O2)c1
InChIInChI=1S/C21H32O3/c1-15-13-16(2)20(22)19(14-15)21-23-17-9-6-4-3-5-7-10-18(24-21)12-8-11-17/h13-14,17-18,21-22H,3-12H2,1-2H3
InChIKeyFNPHPMFLOVZMRX-UHFFFAOYSA-N
XLogP5.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.48
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(10,12-dioxabicyclo[7.3.3]pentadecan-11-yl)-4,6-dimethylphenol with MolForge

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Related Compounds

2,6-Di-tert-butyl-4-(methoxymethyl)phenol
CID 6911
4-((1R,2R,5R)-5-Hydroxymethyl-8-methyl-3-oxa-bicyclo[3.3.1]non-7-en-2-yl)-2,6-dimethyl-phenol
CID 44389606
Phenol, 4,4'-(2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diyl)bis[2,6-bis(1,1-dimethylethyl)-
CID 170566
4-dodecyl-2-(5-methyl-1,2,4-trioxolan-3-yl)-Phenol
CID 177843274
1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-methoxypropane-1,3-diol
CID 86279003
4-Methoxymethyl-2,6-dimethylphenol
CID 585386
4-[(1R,2S)-3-Hydroxy-1-methoxy-2-methylpropyl]-2,6-dimethylphenol--hydrogen chloride (1/1)
CID 71300423
4-Tert-butyl-2,6-bis(methoxymethyl)phenol
CID 22336618
Ethyl 4-hydroxy-3-(4'-hydroxybenzyl)benzyl ether
CID 153639106
2-(Ethoxymethyl)-4-[[5-(ethoxymethyl)-2-hydroxyphenyl]methyl]phenol
CID 155516235
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-hydroxy-5-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenyl]oxane-3,4,5-triol
CID 163191585
2,6-Di-tert-butyl-4-(1-methoxyethyl)phenol
CID 225267

Frequently Asked Questions

What is the IUPAC name of 2-(10,12-dioxabicyclo[7.3.3]pentadecan-11-yl)-4,6-dimethylphenol?
The IUPAC name of 2-(10,12-dioxabicyclo[7.3.3]pentadecan-11-yl)-4,6-dimethylphenol (CID 166727631) is 2-(10,12-dioxabicyclo[7.3.3]pentadecan-11-yl)-4,6-dimethylphenol.
What is the SMILES notation for 2-(10,12-dioxabicyclo[7.3.3]pentadecan-11-yl)-4,6-dimethylphenol?
The canonical SMILES for 2-(10,12-dioxabicyclo[7.3.3]pentadecan-11-yl)-4,6-dimethylphenol is Cc1cc(C)c(O)c(C2OC3CCCCCCCC(CCC3)O2)c1.
What is the InChIKey of 2-(10,12-dioxabicyclo[7.3.3]pentadecan-11-yl)-4,6-dimethylphenol?
The InChIKey is FNPHPMFLOVZMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O3/c1-15-13-16(2)20(22)19(14-15)21-23-17-9-6-4-3-5-7-10-18(24-21)12-8-11-17/h13-14,17-18,21-22H,3-12H2,1-2H3.
What are the key properties of 2-(10,12-dioxabicyclo[7.3.3]pentadecan-11-yl)-4,6-dimethylphenol?
2-(10,12-dioxabicyclo[7.3.3]pentadecan-11-yl)-4,6-dimethylphenol has a molecular weight of 332.48 g/mol, XLogP of 5.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10,12-dioxabicyclo[7.3.3]pentadecan-11-yl)-4,6-dimethylphenol is sourced from PubChem (CID 166727631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).