4-(12-hydroxydodecyl)phenol

C18H30O2 — CID 139809285

IUPAC4-(12-hydroxydodecyl)phenol
SMILESOCCCCCCCCCCCCc1ccc(O)cc1
InChIInChI=1S/C18H30O2/c19-16-10-8-6-4-2-1-3-5-7-9-11-17-12-14-18(20)15-13-17/h12-15,19-20H,1-11,16H2
InChIKeyPRRCYLFNBQFHIF-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.83
Rot. Bonds12

About 4-(12-hydroxydodecyl)phenol

4-(12-hydroxydodecyl)phenol (PubChem CID 139809285) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-(12-hydroxydodecyl)phenol.

Molecular Properties

Compound Name4-(12-hydroxydodecyl)phenol
PubChem CID139809285
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name4-(12-hydroxydodecyl)phenol
SMILESOCCCCCCCCCCCCc1ccc(O)cc1
InChIInChI=1S/C18H30O2/c19-16-10-8-6-4-2-1-3-5-7-9-11-17-12-14-18(20)15-13-17/h12-15,19-20H,1-11,16H2
InChIKeyPRRCYLFNBQFHIF-UHFFFAOYSA-N
XLogP4.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.83
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

4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
4-(6-iodohexyl)phenol
CID 23455799
4-(8-sulfanyloctyl)phenol
CID 58675994
6-[4-(6-sulfanylhexyl)phenyl]hexan-1-ol
CID 71362156
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867
4-(4-propylphenyl)butan-1-ol
CID 10511962
calcium;hydride;4-octylphenol
CID 173256756
barium(2+);hydride;4-nonylphenol
CID 173156845
calcium;hydride;4-tetradecylphenol
CID 174582359
2-(2-hydroxyethoxy)ethanol;4-octylphenol
CID 158887559

Frequently Asked Questions

What is the IUPAC name of 4-(12-hydroxydodecyl)phenol?
The IUPAC name of 4-(12-hydroxydodecyl)phenol (CID 139809285) is 4-(12-hydroxydodecyl)phenol.
What is the SMILES notation for 4-(12-hydroxydodecyl)phenol?
The canonical SMILES for 4-(12-hydroxydodecyl)phenol is OCCCCCCCCCCCCc1ccc(O)cc1.
What is the InChIKey of 4-(12-hydroxydodecyl)phenol?
The InChIKey is PRRCYLFNBQFHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c19-16-10-8-6-4-2-1-3-5-7-9-11-17-12-14-18(20)15-13-17/h12-15,19-20H,1-11,16H2.
What are the key properties of 4-(12-hydroxydodecyl)phenol?
4-(12-hydroxydodecyl)phenol has a molecular weight of 278.44 g/mol, XLogP of 4.83, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(12-hydroxydodecyl)phenol is sourced from PubChem (CID 139809285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).