4-undecan-6-ylphenol

C17H28O — CID 66867197

IUPAC4-undecan-6-ylphenol
SMILESCCCCCC(CCCCC)c1ccc(O)cc1
InChIInChI=1S/C17H28O/c1-3-5-7-9-15(10-8-6-4-2)16-11-13-17(18)14-12-16/h11-15,18H,3-10H2,1-2H3
InChIKeyYKIWRKHFGXZSNF-UHFFFAOYSA-N
MW248.41 g/mol
LogP5.64
Rot. Bonds9

About 4-undecan-6-ylphenol

4-undecan-6-ylphenol (PubChem CID 66867197) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 4-undecan-6-ylphenol.

Molecular Properties

Compound Name4-undecan-6-ylphenol
PubChem CID66867197
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name4-undecan-6-ylphenol
SMILESCCCCCC(CCCCC)c1ccc(O)cc1
InChIInChI=1S/C17H28O/c1-3-5-7-9-15(10-8-6-4-2)16-11-13-17(18)14-12-16/h11-15,18H,3-10H2,1-2H3
InChIKeyYKIWRKHFGXZSNF-UHFFFAOYSA-N
XLogP5.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.41
LogP ≤ 55.64
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-dodecan-3-ylphenol
CID 12820022
8-(4-hydroxyphenyl)octadecanoic acid
CID 101311385
4-(1-hydroxytridecyl)phenol
CID 57120972
1-methyl-4-undecan-6-ylbenzene
CID 54207407
4-(2-methylnon-2-en-4-yl)phenol
CID 134964205
4-[4-(4-hydroxyphenyl)heptyl]phenol
CID 54154884
4-(1-aminododecyl)phenol
CID 174770403
3-(4-hydroxyphenyl)heptanal
CID 91485850
4-[6-(4-hydroxyphenyl)nonan-4-yl]phenol
CID 163777364
hentriacontan-13-ylbenzene
CID 91306613
icosan-10-ylbenzene
CID 54351357

Frequently Asked Questions

What is the IUPAC name of 4-undecan-6-ylphenol?
The IUPAC name of 4-undecan-6-ylphenol (CID 66867197) is 4-undecan-6-ylphenol.
What is the SMILES notation for 4-undecan-6-ylphenol?
The canonical SMILES for 4-undecan-6-ylphenol is CCCCCC(CCCCC)c1ccc(O)cc1.
What is the InChIKey of 4-undecan-6-ylphenol?
The InChIKey is YKIWRKHFGXZSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-3-5-7-9-15(10-8-6-4-2)16-11-13-17(18)14-12-16/h11-15,18H,3-10H2,1-2H3.
What are the key properties of 4-undecan-6-ylphenol?
4-undecan-6-ylphenol has a molecular weight of 248.41 g/mol, XLogP of 5.64, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-undecan-6-ylphenol is sourced from PubChem (CID 66867197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).