4-(butoxymethyl)-2-dodecan-2-yl-6-methylphenol

C24H42O2 — CID 19868288

IUPAC4-(butoxymethyl)-2-dodecan-2-yl-6-methylphenol
SMILESCCCCCCCCCCC(C)c1cc(COCCCC)cc(C)c1O
InChIInChI=1S/C24H42O2/c1-5-7-9-10-11-12-13-14-15-20(3)23-18-22(17-21(4)24(23)25)19-26-16-8-6-2/h17-18,20,25H,5-16,19H2,1-4H3
InChIKeyAYRUTXYJAGECME-UHFFFAOYSA-N
MW362.60 g/mol
LogP7.65
Rot. Bonds15

About 4-(butoxymethyl)-2-dodecan-2-yl-6-methylphenol

4-(butoxymethyl)-2-dodecan-2-yl-6-methylphenol (PubChem CID 19868288) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is 4-(butoxymethyl)-2-dodecan-2-yl-6-methylphenol.

Molecular Properties

Compound Name4-(butoxymethyl)-2-dodecan-2-yl-6-methylphenol
PubChem CID19868288
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name4-(butoxymethyl)-2-dodecan-2-yl-6-methylphenol
SMILESCCCCCCCCCCC(C)c1cc(COCCCC)cc(C)c1O
InChIInChI=1S/C24H42O2/c1-5-7-9-10-11-12-13-14-15-20(3)23-18-22(17-21(4)24(23)25)19-26-16-8-6-2/h17-18,20,25H,5-16,19H2,1-4H3
InChIKeyAYRUTXYJAGECME-UHFFFAOYSA-N
XLogP7.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-6-triacontan-2-ylphenol
CID 19904487
2,6-di(hexadecan-2-yl)-4-propylphenol
CID 21499301
4-butyl-2,6-di(icosan-2-yl)phenol
CID 21499273
2-tert-butyl-4-(hexadecoxymethyl)-6-methylphenol
CID 87421552
2-tert-butyl-4-(decoxymethyl)-6-propan-2-ylphenol
CID 87421639
4-chloro-5-methyl-2-octan-2-ylphenol
CID 15788408
2-[(4-tetradecan-2-ylphenyl)methoxy]ethanol
CID 118325776
4-(butoxymethyl)-1,2-dimethylbenzene
CID 57131464
2-butan-2-yl-4-tert-butyl-6-tetradecan-2-ylphenol
CID 18961291
2-hydroxy-5-methyl-3-octan-2-ylbenzoic acid
CID 22256255
potassium 5-heptan-2-yl-4-hydroxy-2-methylbenzoate
CID 175708073
butyl 10-(2-hydroxy-3-methylphenyl)undecanoate
CID 154106292

Frequently Asked Questions

What is the IUPAC name of 4-(butoxymethyl)-2-dodecan-2-yl-6-methylphenol?
The IUPAC name of 4-(butoxymethyl)-2-dodecan-2-yl-6-methylphenol (CID 19868288) is 4-(butoxymethyl)-2-dodecan-2-yl-6-methylphenol.
What is the SMILES notation for 4-(butoxymethyl)-2-dodecan-2-yl-6-methylphenol?
The canonical SMILES for 4-(butoxymethyl)-2-dodecan-2-yl-6-methylphenol is CCCCCCCCCCC(C)c1cc(COCCCC)cc(C)c1O.
What is the InChIKey of 4-(butoxymethyl)-2-dodecan-2-yl-6-methylphenol?
The InChIKey is AYRUTXYJAGECME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O2/c1-5-7-9-10-11-12-13-14-15-20(3)23-18-22(17-21(4)24(23)25)19-26-16-8-6-2/h17-18,20,25H,5-16,19H2,1-4H3.
What are the key properties of 4-(butoxymethyl)-2-dodecan-2-yl-6-methylphenol?
4-(butoxymethyl)-2-dodecan-2-yl-6-methylphenol has a molecular weight of 362.60 g/mol, XLogP of 7.65, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butoxymethyl)-2-dodecan-2-yl-6-methylphenol is sourced from PubChem (CID 19868288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).