2-[2-(2,3-dibutylphenyl)butan-2-yl]phenol

C24H34O — CID 67180305

IUPAC2-[2-(2,3-dibutylphenyl)butan-2-yl]phenol
SMILESCCCCc1cccc(C(C)(CC)c2ccccc2O)c1CCCC
InChIInChI=1S/C24H34O/c1-5-8-13-19-14-12-17-21(20(19)15-9-6-2)24(4,7-3)22-16-10-11-18-23(22)25/h10-12,14,16-18,25H,5-9,13,15H2,1-4H3
InChIKeyXRTITXROJQIBIG-UHFFFAOYSA-N
MW338.54 g/mol
LogP6.79
Rot. Bonds9

About 2-[2-(2,3-dibutylphenyl)butan-2-yl]phenol

2-[2-(2,3-dibutylphenyl)butan-2-yl]phenol (PubChem CID 67180305) has the molecular formula C24H34O and a molecular weight of 338.54 g/mol. Its IUPAC name is 2-[2-(2,3-dibutylphenyl)butan-2-yl]phenol.

Molecular Properties

Compound Name2-[2-(2,3-dibutylphenyl)butan-2-yl]phenol
PubChem CID67180305
Molecular FormulaC24H34O
Molecular Weight338.54 g/mol
Exact Mass338.26
IUPAC Name2-[2-(2,3-dibutylphenyl)butan-2-yl]phenol
SMILESCCCCc1cccc(C(C)(CC)c2ccccc2O)c1CCCC
InChIInChI=1S/C24H34O/c1-5-8-13-19-14-12-17-21(20(19)15-9-6-2)24(4,7-3)22-16-10-11-18-23(22)25/h10-12,14,16-18,25H,5-9,13,15H2,1-4H3
InChIKeyXRTITXROJQIBIG-UHFFFAOYSA-N
XLogP6.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.54
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(2-decylphenyl)butan-2-yl]phenol
CID 67178533
2-[2-(2,3-dihexylphenyl)propan-2-yl]phenol
CID 66866652
2-butyl-3-hexylphenol
CID 141346396
3-butyl-2-hexylphenol
CID 66867063
1,2,3-tributylbenzene;hydrate
CID 172716323
1-(2-chloropropan-2-yl)-2,3-didecylbenzene
CID 141248200
2,3-di(nonadecyl)phenol
CID 151687635
1,2-dibutyl-3-(5-phenylnonan-5-yl)benzene
CID 57305489
2-[2-(2-hydroxyphenyl)octan-2-yl]phenol
CID 22402788
2-(2,3-dioctadecylphenyl)propan-2-amine;methane;hydrochloride
CID 173050627
1,2-dibutyl-3-dodecylbenzene
CID 91050964
2-butyl-1,3-di(tetracosyl)benzene
CID 91602515

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dibutylphenyl)butan-2-yl]phenol?
The IUPAC name of 2-[2-(2,3-dibutylphenyl)butan-2-yl]phenol (CID 67180305) is 2-[2-(2,3-dibutylphenyl)butan-2-yl]phenol.
What is the SMILES notation for 2-[2-(2,3-dibutylphenyl)butan-2-yl]phenol?
The canonical SMILES for 2-[2-(2,3-dibutylphenyl)butan-2-yl]phenol is CCCCc1cccc(C(C)(CC)c2ccccc2O)c1CCCC.
What is the InChIKey of 2-[2-(2,3-dibutylphenyl)butan-2-yl]phenol?
The InChIKey is XRTITXROJQIBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O/c1-5-8-13-19-14-12-17-21(20(19)15-9-6-2)24(4,7-3)22-16-10-11-18-23(22)25/h10-12,14,16-18,25H,5-9,13,15H2,1-4H3.
What are the key properties of 2-[2-(2,3-dibutylphenyl)butan-2-yl]phenol?
2-[2-(2,3-dibutylphenyl)butan-2-yl]phenol has a molecular weight of 338.54 g/mol, XLogP of 6.79, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dibutylphenyl)butan-2-yl]phenol is sourced from PubChem (CID 67180305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).