2-(3,7,11,15-tetramethylhexadecyl)benzene-1,4-diol

C26H46O2 — CID 10385750

IUPAC2-(3,7,11,15-tetramethylhexadecyl)benzene-1,4-diol
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCc1cc(O)ccc1O
InChIInChI=1S/C26H46O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-14-23(5)15-16-24-19-25(27)17-18-26(24)28/h17-23,27-28H,6-16H2,1-5H3
InChIKeyQBNNFBSVSBMOLB-UHFFFAOYSA-N
MW390.65 g/mol
LogP8.11
Rot. Bonds15

About 2-(3,7,11,15-tetramethylhexadecyl)benzene-1,4-diol

2-(3,7,11,15-tetramethylhexadecyl)benzene-1,4-diol (PubChem CID 10385750) has the molecular formula C26H46O2 and a molecular weight of 390.65 g/mol. Its IUPAC name is 2-(3,7,11,15-tetramethylhexadecyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(3,7,11,15-tetramethylhexadecyl)benzene-1,4-diol
PubChem CID10385750
Molecular FormulaC26H46O2
Molecular Weight390.65 g/mol
Exact Mass390.35
IUPAC Name2-(3,7,11,15-tetramethylhexadecyl)benzene-1,4-diol
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCc1cc(O)ccc1O
InChIInChI=1S/C26H46O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-14-23(5)15-16-24-19-25(27)17-18-26(24)28/h17-23,27-28H,6-16H2,1-5H3
InChIKeyQBNNFBSVSBMOLB-UHFFFAOYSA-N
XLogP8.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.65
LogP ≤ 58.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(6,10,14-trimethylpentadecyl)phenol
CID 152684433
4-(13-methyltetradecyl)benzene-1,3-diol
CID 10268006
2-(aminomethyl)-7-(2,5-dihydroxyphenyl)-4-methylheptanoic acid
CID 69266992
1,4-bis[(3R)-3,7-dimethyloctyl]benzene
CID 94774977
4-methyl-2-(10-methylundecyl)phenol
CID 19895157
2-(3-hydroxypropyl)benzene-1,4-diol
CID 19362191
2-tridecylbenzene-1,4-diol
CID 19033717
2-(3-hydroxy-7-methyloctyl)phenol
CID 173316016
3-butyl-4-methylphenol;2-methylhexane
CID 142056802
3-fluoro-4-(3-methylbutyl)phenol
CID 59755829
CID 70568956
CID 70568956
sodium 2-dodecylbenzene-1,4-diol
CID 23460783

Frequently Asked Questions

What is the IUPAC name of 2-(3,7,11,15-tetramethylhexadecyl)benzene-1,4-diol?
The IUPAC name of 2-(3,7,11,15-tetramethylhexadecyl)benzene-1,4-diol (CID 10385750) is 2-(3,7,11,15-tetramethylhexadecyl)benzene-1,4-diol.
What is the SMILES notation for 2-(3,7,11,15-tetramethylhexadecyl)benzene-1,4-diol?
The canonical SMILES for 2-(3,7,11,15-tetramethylhexadecyl)benzene-1,4-diol is CC(C)CCCC(C)CCCC(C)CCCC(C)CCc1cc(O)ccc1O.
What is the InChIKey of 2-(3,7,11,15-tetramethylhexadecyl)benzene-1,4-diol?
The InChIKey is QBNNFBSVSBMOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-14-23(5)15-16-24-19-25(27)17-18-26(24)28/h17-23,27-28H,6-16H2,1-5H3.
What are the key properties of 2-(3,7,11,15-tetramethylhexadecyl)benzene-1,4-diol?
2-(3,7,11,15-tetramethylhexadecyl)benzene-1,4-diol has a molecular weight of 390.65 g/mol, XLogP of 8.11, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7,11,15-tetramethylhexadecyl)benzene-1,4-diol is sourced from PubChem (CID 10385750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).