2-[(2-hydroxy-3-pentylphenyl)methyl]-6-pentylphenol

C23H32O2 — CID 101275830

IUPAC2-[(2-hydroxy-3-pentylphenyl)methyl]-6-pentylphenol
SMILESCCCCCc1cccc(Cc2cccc(CCCCC)c2O)c1O
InChIInChI=1S/C23H32O2/c1-3-5-7-11-18-13-9-15-20(22(18)24)17-21-16-10-14-19(23(21)25)12-8-6-4-2/h9-10,13-16,24-25H,3-8,11-12,17H2,1-2H3
InChIKeyYDJCBIIOORXHNY-UHFFFAOYSA-N
MW340.51 g/mol
LogP6.15
Rot. Bonds10

About 2-[(2-hydroxy-3-pentylphenyl)methyl]-6-pentylphenol

2-[(2-hydroxy-3-pentylphenyl)methyl]-6-pentylphenol (PubChem CID 101275830) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-pentylphenyl)methyl]-6-pentylphenol.

Molecular Properties

Compound Name2-[(2-hydroxy-3-pentylphenyl)methyl]-6-pentylphenol
PubChem CID101275830
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name2-[(2-hydroxy-3-pentylphenyl)methyl]-6-pentylphenol
SMILESCCCCCc1cccc(Cc2cccc(CCCCC)c2O)c1O
InChIInChI=1S/C23H32O2/c1-3-5-7-11-18-13-9-15-20(22(18)24)17-21-16-10-14-19(23(21)25)12-8-6-4-2/h9-10,13-16,24-25H,3-8,11-12,17H2,1-2H3
InChIKeyYDJCBIIOORXHNY-UHFFFAOYSA-N
XLogP6.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-heptadecyl-6-[(3-heptadecyl-2-hydroxyphenyl)methyl]phenol
CID 101275914
2-dodecyl-6-[(3-dodecyl-2-hydroxyphenyl)methyl]phenol
CID 12617723
2-methyl-6-undecylphenol
CID 174998801
2,6-di(nonyl)phenol;4-methylphenol
CID 159290402
2-(aminomethyl)-6-butylphenol
CID 142528852
2-(2-hydroxyphenyl)-6-pentylphenol
CID 174858636
2-bromo-3-hexadecylphenol
CID 141212813
acetic acid;3-pentadecylbenzene-1,2-diol
CID 67779350
2-heptadecyl-6-methoxyphenol
CID 10713705
2-tert-butyl-6-pentadecylphenol
CID 151192860
3-heptyl-2-hydroxybenzoic acid
CID 67845198
3-(5-heptoxypentyl)benzene-1,2-diol
CID 154435375

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-pentylphenyl)methyl]-6-pentylphenol?
The IUPAC name of 2-[(2-hydroxy-3-pentylphenyl)methyl]-6-pentylphenol (CID 101275830) is 2-[(2-hydroxy-3-pentylphenyl)methyl]-6-pentylphenol.
What is the SMILES notation for 2-[(2-hydroxy-3-pentylphenyl)methyl]-6-pentylphenol?
The canonical SMILES for 2-[(2-hydroxy-3-pentylphenyl)methyl]-6-pentylphenol is CCCCCc1cccc(Cc2cccc(CCCCC)c2O)c1O.
What is the InChIKey of 2-[(2-hydroxy-3-pentylphenyl)methyl]-6-pentylphenol?
The InChIKey is YDJCBIIOORXHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-3-5-7-11-18-13-9-15-20(22(18)24)17-21-16-10-14-19(23(21)25)12-8-6-4-2/h9-10,13-16,24-25H,3-8,11-12,17H2,1-2H3.
What are the key properties of 2-[(2-hydroxy-3-pentylphenyl)methyl]-6-pentylphenol?
2-[(2-hydroxy-3-pentylphenyl)methyl]-6-pentylphenol has a molecular weight of 340.51 g/mol, XLogP of 6.15, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-pentylphenyl)methyl]-6-pentylphenol is sourced from PubChem (CID 101275830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).