2-dodecyl-6-[(3-dodecyl-2-hydroxyphenyl)methyl]phenol

C37H60O2 — CID 12617723

IUPAC2-dodecyl-6-[(3-dodecyl-2-hydroxyphenyl)methyl]phenol
SMILESCCCCCCCCCCCCc1cccc(Cc2cccc(CCCCCCCCCCCC)c2O)c1O
InChIInChI=1S/C37H60O2/c1-3-5-7-9-11-13-15-17-19-21-25-32-27-23-29-34(36(32)38)31-35-30-24-28-33(37(35)39)26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-30,38-39H,3-22,25-26,31H2,1-2H3
InChIKeyHMNWKYAYDBYRDB-UHFFFAOYSA-N
MW536.89 g/mol
LogP11.62
Rot. Bonds24

About 2-dodecyl-6-[(3-dodecyl-2-hydroxyphenyl)methyl]phenol

2-dodecyl-6-[(3-dodecyl-2-hydroxyphenyl)methyl]phenol (PubChem CID 12617723) has the molecular formula C37H60O2 and a molecular weight of 536.89 g/mol. Its IUPAC name is 2-dodecyl-6-[(3-dodecyl-2-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name2-dodecyl-6-[(3-dodecyl-2-hydroxyphenyl)methyl]phenol
PubChem CID12617723
Molecular FormulaC37H60O2
Molecular Weight536.89 g/mol
Exact Mass536.46
IUPAC Name2-dodecyl-6-[(3-dodecyl-2-hydroxyphenyl)methyl]phenol
SMILESCCCCCCCCCCCCc1cccc(Cc2cccc(CCCCCCCCCCCC)c2O)c1O
InChIInChI=1S/C37H60O2/c1-3-5-7-9-11-13-15-17-19-21-25-32-27-23-29-34(36(32)38)31-35-30-24-28-33(37(35)39)26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-30,38-39H,3-22,25-26,31H2,1-2H3
InChIKeyHMNWKYAYDBYRDB-UHFFFAOYSA-N
XLogP11.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.89
LogP ≤ 511.62
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-[(2-hydroxy-3-pentylphenyl)methyl]-6-pentylphenol
CID 101275830
2-methyl-6-undecylphenol
CID 174998801
2,6-di(nonyl)phenol;4-methylphenol
CID 159290402
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
2-dodecylphenol
CID 160834917
3-heptyl-2-hydroxybenzoic acid
CID 67845198
3-(5-heptoxypentyl)benzene-1,2-diol
CID 154435375
3-(13-heptoxytridecyl)benzene-1,2-diol
CID 154435835

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-6-[(3-dodecyl-2-hydroxyphenyl)methyl]phenol?
The IUPAC name of 2-dodecyl-6-[(3-dodecyl-2-hydroxyphenyl)methyl]phenol (CID 12617723) is 2-dodecyl-6-[(3-dodecyl-2-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 2-dodecyl-6-[(3-dodecyl-2-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 2-dodecyl-6-[(3-dodecyl-2-hydroxyphenyl)methyl]phenol is CCCCCCCCCCCCc1cccc(Cc2cccc(CCCCCCCCCCCC)c2O)c1O.
What is the InChIKey of 2-dodecyl-6-[(3-dodecyl-2-hydroxyphenyl)methyl]phenol?
The InChIKey is HMNWKYAYDBYRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H60O2/c1-3-5-7-9-11-13-15-17-19-21-25-32-27-23-29-34(36(32)38)31-35-30-24-28-33(37(35)39)26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-30,38-39H,3-22,25-26,31H2,1-2H3.
What are the key properties of 2-dodecyl-6-[(3-dodecyl-2-hydroxyphenyl)methyl]phenol?
2-dodecyl-6-[(3-dodecyl-2-hydroxyphenyl)methyl]phenol has a molecular weight of 536.89 g/mol, XLogP of 11.62, 24 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-6-[(3-dodecyl-2-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 12617723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).