4-(2-butyltetradecyl)phenol

C24H42O — CID 70630098

IUPAC4-(2-butyltetradecyl)phenol
SMILESCCCCCCCCCCCCC(CCCC)Cc1ccc(O)cc1
InChIInChI=1S/C24H42O/c1-3-5-7-8-9-10-11-12-13-14-16-22(15-6-4-2)21-23-17-19-24(25)20-18-23/h17-20,22,25H,3-16,21H2,1-2H3
InChIKeyUCZVOKRDTVYBDY-UHFFFAOYSA-N
MW346.60 g/mol
LogP8.05
Rot. Bonds16

About 4-(2-butyltetradecyl)phenol

4-(2-butyltetradecyl)phenol (PubChem CID 70630098) has the molecular formula C24H42O and a molecular weight of 346.60 g/mol. Its IUPAC name is 4-(2-butyltetradecyl)phenol.

Molecular Properties

Compound Name4-(2-butyltetradecyl)phenol
PubChem CID70630098
Molecular FormulaC24H42O
Molecular Weight346.60 g/mol
Exact Mass346.32
IUPAC Name4-(2-butyltetradecyl)phenol
SMILESCCCCCCCCCCCCC(CCCC)Cc1ccc(O)cc1
InChIInChI=1S/C24H42O/c1-3-5-7-8-9-10-11-12-13-14-16-22(15-6-4-2)21-23-17-19-24(25)20-18-23/h17-20,22,25H,3-16,21H2,1-2H3
InChIKeyUCZVOKRDTVYBDY-UHFFFAOYSA-N
XLogP8.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 58.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2-butylheptyl)phenol
CID 118370129
4-(2-aminooctyl)phenol
CID 69403996
4-(3-heptyldodecyl)phenol
CID 118876079
4-[2-[1-(4-hydroxyphenyl)dodecan-2-ylsulfanyl]dodecyl]phenol
CID 21440314
1-(4-hydroxyphenyl)octane-2,3-diol
CID 91510264
4-(2-hexyldecyl)aniline
CID 68751283
1-(2-decyltetradecyl)-4-[2-[4-(2-decyltetradecyl)phenyl]ethynyl]benzene
CID 71404252
4-[(2S,3R)-2-amino-3-hydroxydodecyl]phenol
CID 118735813
1-(4-hydroxyphenyl)heptane-2,3-diol
CID 91525672
2-[(4-methylphenyl)methyl]undecan-1-ol
CID 66059453
3-benzylpentadecan-1-ol
CID 174933241
3-benzylheptadecan-1-ol
CID 70425860

Frequently Asked Questions

What is the IUPAC name of 4-(2-butyltetradecyl)phenol?
The IUPAC name of 4-(2-butyltetradecyl)phenol (CID 70630098) is 4-(2-butyltetradecyl)phenol.
What is the SMILES notation for 4-(2-butyltetradecyl)phenol?
The canonical SMILES for 4-(2-butyltetradecyl)phenol is CCCCCCCCCCCCC(CCCC)Cc1ccc(O)cc1.
What is the InChIKey of 4-(2-butyltetradecyl)phenol?
The InChIKey is UCZVOKRDTVYBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O/c1-3-5-7-8-9-10-11-12-13-14-16-22(15-6-4-2)21-23-17-19-24(25)20-18-23/h17-20,22,25H,3-16,21H2,1-2H3.
What are the key properties of 4-(2-butyltetradecyl)phenol?
4-(2-butyltetradecyl)phenol has a molecular weight of 346.60 g/mol, XLogP of 8.05, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butyltetradecyl)phenol is sourced from PubChem (CID 70630098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).