2-butyl-5-pentadecylphenol

C25H44O — CID 175271686

IUPAC2-butyl-5-pentadecylphenol
SMILESCCCCCCCCCCCCCCCc1ccc(CCCC)c(O)c1
InChIInChI=1S/C25H44O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-23-20-21-24(19-6-4-2)25(26)22-23/h20-22,26H,3-19H2,1-2H3
InChIKeyBVYCHHNPMXFGHM-UHFFFAOYSA-N
MW360.63 g/mol
LogP8.37
Rot. Bonds17

About 2-butyl-5-pentadecylphenol

2-butyl-5-pentadecylphenol (PubChem CID 175271686) has the molecular formula C25H44O and a molecular weight of 360.63 g/mol. Its IUPAC name is 2-butyl-5-pentadecylphenol.

Molecular Properties

Compound Name2-butyl-5-pentadecylphenol
PubChem CID175271686
Molecular FormulaC25H44O
Molecular Weight360.63 g/mol
Exact Mass360.34
IUPAC Name2-butyl-5-pentadecylphenol
SMILESCCCCCCCCCCCCCCCc1ccc(CCCC)c(O)c1
InChIInChI=1S/C25H44O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-23-20-21-24(19-6-4-2)25(26)22-23/h20-22,26H,3-19H2,1-2H3
InChIKeyBVYCHHNPMXFGHM-UHFFFAOYSA-N
XLogP8.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 58.37
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

2-ethyl-5-nonylphenol
CID 54394722
2-benzyl-5-pentadecylphenol
CID 10938093
4-nonyl-2-pentylphenol
CID 86162849
4-tricosylbenzene-1,3-diol
CID 101133990
5-butyl-2-(2-methylpropyl)phenol
CID 69337414
3-(3-hydroxy-4-pentylphenyl)propyl-dimethyl-sulfoazanium
CID 11313474
CID 175900742
CID 175900742
2-iodo-5-pentadecylphenol
CID 11953466
2-ethyl-4-heptylphenol
CID 58289223
5-amino-2-nonylphenol
CID 152595596
5-chloro-2-dodecylphenol
CID 102279992
4-(3,4-dihexylphenyl)butan-1-ol
CID 169030175

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-pentadecylphenol?
The IUPAC name of 2-butyl-5-pentadecylphenol (CID 175271686) is 2-butyl-5-pentadecylphenol.
What is the SMILES notation for 2-butyl-5-pentadecylphenol?
The canonical SMILES for 2-butyl-5-pentadecylphenol is CCCCCCCCCCCCCCCc1ccc(CCCC)c(O)c1.
What is the InChIKey of 2-butyl-5-pentadecylphenol?
The InChIKey is BVYCHHNPMXFGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-23-20-21-24(19-6-4-2)25(26)22-23/h20-22,26H,3-19H2,1-2H3.
What are the key properties of 2-butyl-5-pentadecylphenol?
2-butyl-5-pentadecylphenol has a molecular weight of 360.63 g/mol, XLogP of 8.37, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-pentadecylphenol is sourced from PubChem (CID 175271686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).