4-dodecan-3-ylphenol

C18H30O — CID 12820022

IUPAC4-dodecan-3-ylphenol
SMILESCCCCCCCCCC(CC)c1ccc(O)cc1
InChIInChI=1S/C18H30O/c1-3-5-6-7-8-9-10-11-16(4-2)17-12-14-18(19)15-13-17/h12-16,19H,3-11H2,1-2H3
InChIKeyHGAKIBMVKBKOFG-UHFFFAOYSA-N
MW262.44 g/mol
LogP6.03
Rot. Bonds10

About 4-dodecan-3-ylphenol

4-dodecan-3-ylphenol (PubChem CID 12820022) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 4-dodecan-3-ylphenol.

Molecular Properties

Compound Name4-dodecan-3-ylphenol
PubChem CID12820022
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name4-dodecan-3-ylphenol
SMILESCCCCCCCCCC(CC)c1ccc(O)cc1
InChIInChI=1S/C18H30O/c1-3-5-6-7-8-9-10-11-16(4-2)17-12-14-18(19)15-13-17/h12-16,19H,3-11H2,1-2H3
InChIKeyHGAKIBMVKBKOFG-UHFFFAOYSA-N
XLogP6.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 56.03
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

4-hexadecan-7-ylphenol
CID 71320883
4-undecan-6-ylphenol
CID 66867197
4-(1-hydroxytridecyl)phenol
CID 57120972
8-(4-hydroxyphenyl)octadecanoic acid
CID 101311385
4-[6-(4-hydroxyphenyl)octan-2-yl]phenol
CID 23550616
1-octan-3-yl-4-prop-1-en-2-ylbenzene
CID 144723929
4-[1-(4-hydroxyphenyl)propyl]phenol;undecane
CID 174905836
octan-3-ylbenzene
CID 519547
4-(1-aminododecyl)phenol
CID 174770403
4-dodecan-3-ylbenzaldehyde
CID 57123935
2-octadecan-3-ylbenzene-1,4-diol
CID 101149425
4-(2-methylnon-2-en-4-yl)phenol
CID 134964205

Frequently Asked Questions

What is the IUPAC name of 4-dodecan-3-ylphenol?
The IUPAC name of 4-dodecan-3-ylphenol (CID 12820022) is 4-dodecan-3-ylphenol.
What is the SMILES notation for 4-dodecan-3-ylphenol?
The canonical SMILES for 4-dodecan-3-ylphenol is CCCCCCCCCC(CC)c1ccc(O)cc1.
What is the InChIKey of 4-dodecan-3-ylphenol?
The InChIKey is HGAKIBMVKBKOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-3-5-6-7-8-9-10-11-16(4-2)17-12-14-18(19)15-13-17/h12-16,19H,3-11H2,1-2H3.
What are the key properties of 4-dodecan-3-ylphenol?
4-dodecan-3-ylphenol has a molecular weight of 262.44 g/mol, XLogP of 6.03, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodecan-3-ylphenol is sourced from PubChem (CID 12820022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).