2,6-ditert-butyl-4-(1-hydroxy-6-methylheptan-2-yl)phenol

C22H38O2 — CID 170163068

IUPAC2,6-ditert-butyl-4-(1-hydroxy-6-methylheptan-2-yl)phenol
SMILESCC(C)CCCC(CO)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C22H38O2/c1-15(2)10-9-11-16(14-23)17-12-18(21(3,4)5)20(24)19(13-17)22(6,7)8/h12-13,15-16,23-24H,9-11,14H2,1-8H3
InChIKeyVXVCUXRXSWGJNF-UHFFFAOYSA-N
MW334.54 g/mol
LogP5.89
Rot. Bonds6

About 2,6-ditert-butyl-4-(1-hydroxy-6-methylheptan-2-yl)phenol

2,6-ditert-butyl-4-(1-hydroxy-6-methylheptan-2-yl)phenol (PubChem CID 170163068) has the molecular formula C22H38O2 and a molecular weight of 334.54 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(1-hydroxy-6-methylheptan-2-yl)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(1-hydroxy-6-methylheptan-2-yl)phenol
PubChem CID170163068
Molecular FormulaC22H38O2
Molecular Weight334.54 g/mol
Exact Mass334.29
IUPAC Name2,6-ditert-butyl-4-(1-hydroxy-6-methylheptan-2-yl)phenol
SMILESCC(C)CCCC(CO)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C22H38O2/c1-15(2)10-9-11-16(14-23)17-12-18(21(3,4)5)20(24)19(13-17)22(6,7)8/h12-13,15-16,23-24H,9-11,14H2,1-8H3
InChIKeyVXVCUXRXSWGJNF-UHFFFAOYSA-N
XLogP5.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.54
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-ditert-butyl-4-(3,7-dimethyloctoxy)phenol
CID 15486872
2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol
CID 22725890
3-(3,5-ditert-butyl-4-hydroxyphenyl)-9-hydroxynonanoic acid
CID 118452560
2,6-ditert-butyl-4-(2-ethyl-6-methylheptyl)phenol
CID 91434310
2,6-ditert-butyl-4-(1-sulfanylpentyl)phenol
CID 174704090
4-[(1S,2R)-1-amino-2-hydroxy-5-methylhexyl]-2,6-ditert-butylphenol;hydrochloride
CID 171266472
2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 22725873
2,6-ditert-butyl-4-[1-(dimethylamino)propan-2-yl]phenol
CID 170161611
2,6-ditert-butyl-4-dodecan-2-ylphenol
CID 88842140
2,6-ditert-butyl-4-(7-methyloctoxymethyl)phenol
CID 139750570
2,6-ditert-butyl-4-(2-methylpropyl)phenol
CID 161371021
2,6-ditert-butyl-4-[(1R)-1,3-diaminopropyl]phenol;hydrochloride
CID 171197796

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(1-hydroxy-6-methylheptan-2-yl)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(1-hydroxy-6-methylheptan-2-yl)phenol (CID 170163068) is 2,6-ditert-butyl-4-(1-hydroxy-6-methylheptan-2-yl)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(1-hydroxy-6-methylheptan-2-yl)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(1-hydroxy-6-methylheptan-2-yl)phenol is CC(C)CCCC(CO)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-(1-hydroxy-6-methylheptan-2-yl)phenol?
The InChIKey is VXVCUXRXSWGJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O2/c1-15(2)10-9-11-16(14-23)17-12-18(21(3,4)5)20(24)19(13-17)22(6,7)8/h12-13,15-16,23-24H,9-11,14H2,1-8H3.
What are the key properties of 2,6-ditert-butyl-4-(1-hydroxy-6-methylheptan-2-yl)phenol?
2,6-ditert-butyl-4-(1-hydroxy-6-methylheptan-2-yl)phenol has a molecular weight of 334.54 g/mol, XLogP of 5.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(1-hydroxy-6-methylheptan-2-yl)phenol is sourced from PubChem (CID 170163068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).