2,3,5-tributyl-6-[(2-hydroxyphenyl)methyl]-4-methylphenol

C26H38O2 — CID 151256015

IUPAC2,3,5-tributyl-6-[(2-hydroxyphenyl)methyl]-4-methylphenol
SMILESCCCCc1c(C)c(CCCC)c(Cc2ccccc2O)c(O)c1CCCC
InChIInChI=1S/C26H38O2/c1-5-8-14-21-19(4)22(15-9-6-2)24(26(28)23(21)16-10-7-3)18-20-13-11-12-17-25(20)27/h11-13,17,27-28H,5-10,14-16,18H2,1-4H3
InChIKeyNTIIGDGOQIHXQU-UHFFFAOYSA-N
MW382.59 g/mol
LogP7.02
Rot. Bonds11

About 2,3,5-tributyl-6-[(2-hydroxyphenyl)methyl]-4-methylphenol

2,3,5-tributyl-6-[(2-hydroxyphenyl)methyl]-4-methylphenol (PubChem CID 151256015) has the molecular formula C26H38O2 and a molecular weight of 382.59 g/mol. Its IUPAC name is 2,3,5-tributyl-6-[(2-hydroxyphenyl)methyl]-4-methylphenol.

Molecular Properties

Compound Name2,3,5-tributyl-6-[(2-hydroxyphenyl)methyl]-4-methylphenol
PubChem CID151256015
Molecular FormulaC26H38O2
Molecular Weight382.59 g/mol
Exact Mass382.29
IUPAC Name2,3,5-tributyl-6-[(2-hydroxyphenyl)methyl]-4-methylphenol
SMILESCCCCc1c(C)c(CCCC)c(Cc2ccccc2O)c(O)c1CCCC
InChIInChI=1S/C26H38O2/c1-5-8-14-21-19(4)22(15-9-6-2)24(26(28)23(21)16-10-7-3)18-20-13-11-12-17-25(20)27/h11-13,17,27-28H,5-10,14-16,18H2,1-4H3
InChIKeyNTIIGDGOQIHXQU-UHFFFAOYSA-N
XLogP7.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-5,6-diheptyl-4-methyl-3-propylphenol
CID 139832227
2-dodecylphenol
CID 160834917
2-octylphenol;tungsten
CID 157237523
CID 158595082
CID 158595082
CID 69025009
CID 69025009
2-butyl-3-hexylphenol
CID 141346396
3-butyl-2-hexylphenol
CID 66867063
2-butyl-3-methylphenol
CID 174788119
2-(hydroxymethyl)phenol;pentane
CID 70619203
lithium;2-dodecylphenol;hydride
CID 174657819
2-decylphenol;hydrazine
CID 159983030
ethene;2-nonylphenol
CID 66616289

Frequently Asked Questions

What is the IUPAC name of 2,3,5-tributyl-6-[(2-hydroxyphenyl)methyl]-4-methylphenol?
The IUPAC name of 2,3,5-tributyl-6-[(2-hydroxyphenyl)methyl]-4-methylphenol (CID 151256015) is 2,3,5-tributyl-6-[(2-hydroxyphenyl)methyl]-4-methylphenol.
What is the SMILES notation for 2,3,5-tributyl-6-[(2-hydroxyphenyl)methyl]-4-methylphenol?
The canonical SMILES for 2,3,5-tributyl-6-[(2-hydroxyphenyl)methyl]-4-methylphenol is CCCCc1c(C)c(CCCC)c(Cc2ccccc2O)c(O)c1CCCC.
What is the InChIKey of 2,3,5-tributyl-6-[(2-hydroxyphenyl)methyl]-4-methylphenol?
The InChIKey is NTIIGDGOQIHXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O2/c1-5-8-14-21-19(4)22(15-9-6-2)24(26(28)23(21)16-10-7-3)18-20-13-11-12-17-25(20)27/h11-13,17,27-28H,5-10,14-16,18H2,1-4H3.
What are the key properties of 2,3,5-tributyl-6-[(2-hydroxyphenyl)methyl]-4-methylphenol?
2,3,5-tributyl-6-[(2-hydroxyphenyl)methyl]-4-methylphenol has a molecular weight of 382.59 g/mol, XLogP of 7.02, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-tributyl-6-[(2-hydroxyphenyl)methyl]-4-methylphenol is sourced from PubChem (CID 151256015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).