16-(2-hydroxyphenyl)hexadecanoic acid

C22H36O3 — CID 118366934

IUPAC16-(2-hydroxyphenyl)hexadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCc1ccccc1O
InChIInChI=1S/C22H36O3/c23-21-18-15-14-17-20(21)16-12-10-8-6-4-2-1-3-5-7-9-11-13-19-22(24)25/h14-15,17-18,23H,1-13,16,19H2,(H,24,25)
InChIKeyFIZSKVHBAXLQJD-UHFFFAOYSA-N
MW348.53 g/mol
LogP6.48
Rot. Bonds16

About 16-(2-hydroxyphenyl)hexadecanoic acid

16-(2-hydroxyphenyl)hexadecanoic acid (PubChem CID 118366934) has the molecular formula C22H36O3 and a molecular weight of 348.53 g/mol. Its IUPAC name is 16-(2-hydroxyphenyl)hexadecanoic acid.

Molecular Properties

Compound Name16-(2-hydroxyphenyl)hexadecanoic acid
PubChem CID118366934
Molecular FormulaC22H36O3
Molecular Weight348.53 g/mol
Exact Mass348.27
IUPAC Name16-(2-hydroxyphenyl)hexadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCc1ccccc1O
InChIInChI=1S/C22H36O3/c23-21-18-15-14-17-20(21)16-12-10-8-6-4-2-1-3-5-7-9-11-13-19-22(24)25/h14-15,17-18,23H,1-13,16,19H2,(H,24,25)
InChIKeyFIZSKVHBAXLQJD-UHFFFAOYSA-N
XLogP6.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 56.48
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

6-(2,5-dihydroxyphenyl)hexanoic acid
CID 54544724
16-(2-chlorophenyl)hexadecanoic acid
CID 174356057
2-(17-carboxyheptadecyl)benzoic acid
CID 19770577
carbonic acid;bis(2-nonylphenol)
CID 69221300
4-[2-(12-bromododecyl)phenyl]butanoic acid
CID 23352565
15-phenylpentadecanoic acid
CID 2737151
2-(12-phenyldodecyl)phenol
CID 70505621
7-(2-methoxyphenyl)heptanoic acid
CID 59451681
11-(2-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one
CID 11234557
6-[2-[5-carboxypentyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]hexanoic acid
CID 145180691
10-(1-hydroxynaphthalen-2-yl)decanoic acid
CID 151914986
13-(9H-fluoren-1-yl)tridecanoic acid
CID 175383257

Frequently Asked Questions

What is the IUPAC name of 16-(2-hydroxyphenyl)hexadecanoic acid?
The IUPAC name of 16-(2-hydroxyphenyl)hexadecanoic acid (CID 118366934) is 16-(2-hydroxyphenyl)hexadecanoic acid.
What is the SMILES notation for 16-(2-hydroxyphenyl)hexadecanoic acid?
The canonical SMILES for 16-(2-hydroxyphenyl)hexadecanoic acid is O=C(O)CCCCCCCCCCCCCCCc1ccccc1O.
What is the InChIKey of 16-(2-hydroxyphenyl)hexadecanoic acid?
The InChIKey is FIZSKVHBAXLQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O3/c23-21-18-15-14-17-20(21)16-12-10-8-6-4-2-1-3-5-7-9-11-13-19-22(24)25/h14-15,17-18,23H,1-13,16,19H2,(H,24,25).
What are the key properties of 16-(2-hydroxyphenyl)hexadecanoic acid?
16-(2-hydroxyphenyl)hexadecanoic acid has a molecular weight of 348.53 g/mol, XLogP of 6.48, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(2-hydroxyphenyl)hexadecanoic acid is sourced from PubChem (CID 118366934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).