16-(2-chlorophenyl)hexadecanoic acid

C22H35ClO2 — CID 174356057

IUPAC16-(2-chlorophenyl)hexadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCc1ccccc1Cl
InChIInChI=1S/C22H35ClO2/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/h14-15,17-18H,1-13,16,19H2,(H,24,25)
InChIKeyZSAMNFVELPSVMD-UHFFFAOYSA-N
MW366.97 g/mol
LogP7.43
Rot. Bonds16

About 16-(2-chlorophenyl)hexadecanoic acid

16-(2-chlorophenyl)hexadecanoic acid (PubChem CID 174356057) has the molecular formula C22H35ClO2 and a molecular weight of 366.97 g/mol. Its IUPAC name is 16-(2-chlorophenyl)hexadecanoic acid.

Molecular Properties

Compound Name16-(2-chlorophenyl)hexadecanoic acid
PubChem CID174356057
Molecular FormulaC22H35ClO2
Molecular Weight366.97 g/mol
Exact Mass366.23
IUPAC Name16-(2-chlorophenyl)hexadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCc1ccccc1Cl
InChIInChI=1S/C22H35ClO2/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/h14-15,17-18H,1-13,16,19H2,(H,24,25)
InChIKeyZSAMNFVELPSVMD-UHFFFAOYSA-N
XLogP7.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.97
LogP ≤ 57.43
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

16-(2-hydroxyphenyl)hexadecanoic acid
CID 118366934
2-(17-carboxyheptadecyl)benzoic acid
CID 19770577
7-(2-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one
CID 155511120
4-[2-(12-bromododecyl)phenyl]butanoic acid
CID 23352565
15-phenylpentadecanoic acid
CID 2737151
1-chloro-2-(13-chlorotridecyl)benzene
CID 141077015
7-(2-methoxyphenyl)heptanoic acid
CID 59451681
5-(2-chlorophenyl)-4-oxopentanoic acid
CID 66338254
1,11-bis(2,3-dichlorophenyl)undecan-6-one
CID 70291531
1-(8-bromooctyl)-2-chlorobenzene
CID 18786455
3-[2-(5-hydroxypentyl)phenyl]propanoic acid
CID 19921971
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179

Frequently Asked Questions

What is the IUPAC name of 16-(2-chlorophenyl)hexadecanoic acid?
The IUPAC name of 16-(2-chlorophenyl)hexadecanoic acid (CID 174356057) is 16-(2-chlorophenyl)hexadecanoic acid.
What is the SMILES notation for 16-(2-chlorophenyl)hexadecanoic acid?
The canonical SMILES for 16-(2-chlorophenyl)hexadecanoic acid is O=C(O)CCCCCCCCCCCCCCCc1ccccc1Cl.
What is the InChIKey of 16-(2-chlorophenyl)hexadecanoic acid?
The InChIKey is ZSAMNFVELPSVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35ClO2/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/h14-15,17-18H,1-13,16,19H2,(H,24,25).
What are the key properties of 16-(2-chlorophenyl)hexadecanoic acid?
16-(2-chlorophenyl)hexadecanoic acid has a molecular weight of 366.97 g/mol, XLogP of 7.43, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(2-chlorophenyl)hexadecanoic acid is sourced from PubChem (CID 174356057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).