3-[12-(3-hydroxyphenyl)dodecyl]phenol

C24H34O2 — CID 169297924

IUPAC3-[12-(3-hydroxyphenyl)dodecyl]phenol
SMILESOc1cccc(CCCCCCCCCCCCc2cccc(O)c2)c1
InChIInChI=1S/C24H34O2/c25-23-17-11-15-21(19-23)13-9-7-5-3-1-2-4-6-8-10-14-22-16-12-18-24(26)20-22/h11-12,15-20,25-26H,1-10,13-14H2
InChIKeyJFOFNTSHSOJMRG-UHFFFAOYSA-N
MW354.53 g/mol
LogP6.78
Rot. Bonds13

About 3-[12-(3-hydroxyphenyl)dodecyl]phenol

3-[12-(3-hydroxyphenyl)dodecyl]phenol (PubChem CID 169297924) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is 3-[12-(3-hydroxyphenyl)dodecyl]phenol.

Molecular Properties

Compound Name3-[12-(3-hydroxyphenyl)dodecyl]phenol
PubChem CID169297924
Molecular FormulaC24H34O2
Molecular Weight354.53 g/mol
Exact Mass354.26
IUPAC Name3-[12-(3-hydroxyphenyl)dodecyl]phenol
SMILESOc1cccc(CCCCCCCCCCCCc2cccc(O)c2)c1
InChIInChI=1S/C24H34O2/c25-23-17-11-15-21(19-23)13-9-7-5-3-1-2-4-6-8-10-14-22-16-12-18-24(26)20-22/h11-12,15-20,25-26H,1-10,13-14H2
InChIKeyJFOFNTSHSOJMRG-UHFFFAOYSA-N
XLogP6.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 56.78
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

3-hentriacontylphenol
CID 101292722
3-octacosylphenol
CID 101292719
3-(4-hydroxybutyl)phenol
CID 19991537
3-(4-iodobutyl)phenol
CID 174588102
3-(3-sulfanylpropyl)phenol
CID 57206434
3-nonadec-16-enylphenol
CID 85121272
2-methyl-5-nonylphenol;3-nonylphenol
CID 19003711
4-[6-(3-hydroxyphenyl)hexyl]heptane-3,5-dione
CID 514325
3-[2-[4-[4-[2-(3-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 172870683
3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol
CID 23050674
5-(12-phenyldodecyl)benzene-1,3-diol
CID 44575635
ethane;5-(3-hydroxyphenyl)pentan-2-one
CID 142810997

Frequently Asked Questions

What is the IUPAC name of 3-[12-(3-hydroxyphenyl)dodecyl]phenol?
The IUPAC name of 3-[12-(3-hydroxyphenyl)dodecyl]phenol (CID 169297924) is 3-[12-(3-hydroxyphenyl)dodecyl]phenol.
What is the SMILES notation for 3-[12-(3-hydroxyphenyl)dodecyl]phenol?
The canonical SMILES for 3-[12-(3-hydroxyphenyl)dodecyl]phenol is Oc1cccc(CCCCCCCCCCCCc2cccc(O)c2)c1.
What is the InChIKey of 3-[12-(3-hydroxyphenyl)dodecyl]phenol?
The InChIKey is JFOFNTSHSOJMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2/c25-23-17-11-15-21(19-23)13-9-7-5-3-1-2-4-6-8-10-14-22-16-12-18-24(26)20-22/h11-12,15-20,25-26H,1-10,13-14H2.
What are the key properties of 3-[12-(3-hydroxyphenyl)dodecyl]phenol?
3-[12-(3-hydroxyphenyl)dodecyl]phenol has a molecular weight of 354.53 g/mol, XLogP of 6.78, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[12-(3-hydroxyphenyl)dodecyl]phenol is sourced from PubChem (CID 169297924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).