2,4-bis(2-methylbutan-2-yl)phenol;4-butylphenol

C26H40O2 — CID 160837498

IUPAC2,4-bis(2-methylbutan-2-yl)phenol;4-butylphenol
SMILESCCC(C)(C)c1ccc(O)c(C(C)(C)CC)c1.CCCCc1ccc(O)cc1
InChIInChI=1S/C16H26O.C10H14O/c1-7-15(3,4)12-9-10-14(17)13(11-12)16(5,6)8-2;1-2-3-4-9-5-7-10(11)8-6-9/h9-11,17H,7-8H2,1-6H3;5-8,11H,2-4H2,1H3
InChIKeySHPCLBLFTDSANE-UHFFFAOYSA-N
MW384.60 g/mol
LogP7.50
Rot. Bonds7

About 2,4-bis(2-methylbutan-2-yl)phenol;4-butylphenol

2,4-bis(2-methylbutan-2-yl)phenol;4-butylphenol (PubChem CID 160837498) has the molecular formula C26H40O2 and a molecular weight of 384.60 g/mol. Its IUPAC name is 2,4-bis(2-methylbutan-2-yl)phenol;4-butylphenol.

Molecular Properties

Compound Name2,4-bis(2-methylbutan-2-yl)phenol;4-butylphenol
PubChem CID160837498
Molecular FormulaC26H40O2
Molecular Weight384.60 g/mol
Exact Mass384.30
IUPAC Name2,4-bis(2-methylbutan-2-yl)phenol;4-butylphenol
SMILESCCC(C)(C)c1ccc(O)c(C(C)(C)CC)c1.CCCCc1ccc(O)cc1
InChIInChI=1S/C16H26O.C10H14O/c1-7-15(3,4)12-9-10-14(17)13(11-12)16(5,6)8-2;1-2-3-4-9-5-7-10(11)8-6-9/h9-11,17H,7-8H2,1-6H3;5-8,11H,2-4H2,1H3
InChIKeySHPCLBLFTDSANE-UHFFFAOYSA-N
XLogP7.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.60
LogP ≤ 57.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hexylphenol;4-(2-methylbutan-2-yl)phenol
CID 70208179
2-[2-(4-butylphenyl)butan-2-yl]benzene-1,4-diol
CID 19894473
2-(2-methylbutan-2-yl)-4-nonylphenol
CID 139606496
4-[2-(4-heptylphenyl)-2-methylpropyl]phenol
CID 67225424
2-butyl-5-(2-methylbutan-2-yl)phenol
CID 150152087
4-butylphenol;tungsten
CID 174758928
4-[2-(4-pentylphenyl)propan-2-yl]phenol
CID 174631363
methane;2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten
CID 159220306
lithium;4-butylphenol;hydride
CID 174758234
4-butylphenol;3,5-dibutylphenol
CID 159891553
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 58983865
2-tert-butyl-4-pentylphenol
CID 19933254

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-methylbutan-2-yl)phenol;4-butylphenol?
The IUPAC name of 2,4-bis(2-methylbutan-2-yl)phenol;4-butylphenol (CID 160837498) is 2,4-bis(2-methylbutan-2-yl)phenol;4-butylphenol.
What is the SMILES notation for 2,4-bis(2-methylbutan-2-yl)phenol;4-butylphenol?
The canonical SMILES for 2,4-bis(2-methylbutan-2-yl)phenol;4-butylphenol is CCC(C)(C)c1ccc(O)c(C(C)(C)CC)c1.CCCCc1ccc(O)cc1.
What is the InChIKey of 2,4-bis(2-methylbutan-2-yl)phenol;4-butylphenol?
The InChIKey is SHPCLBLFTDSANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O.C10H14O/c1-7-15(3,4)12-9-10-14(17)13(11-12)16(5,6)8-2;1-2-3-4-9-5-7-10(11)8-6-9/h9-11,17H,7-8H2,1-6H3;5-8,11H,2-4H2,1H3.
What are the key properties of 2,4-bis(2-methylbutan-2-yl)phenol;4-butylphenol?
2,4-bis(2-methylbutan-2-yl)phenol;4-butylphenol has a molecular weight of 384.60 g/mol, XLogP of 7.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-methylbutan-2-yl)phenol;4-butylphenol is sourced from PubChem (CID 160837498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).