9-(4-chlorophenyl)-2-methylidenenonanoic acid

C16H21ClO2 — CID 20544233

IUPAC9-(4-chlorophenyl)-2-methylidenenonanoic acid
SMILESC=C(CCCCCCCc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C16H21ClO2/c1-13(16(18)19)7-5-3-2-4-6-8-14-9-11-15(17)12-10-14/h9-12H,1-8H2,(H,18,19)
InChIKeyUDOLGUVXXIDBIO-UHFFFAOYSA-N
MW280.80 g/mol
LogP4.86
Rot. Bonds9

About 9-(4-chlorophenyl)-2-methylidenenonanoic acid

9-(4-chlorophenyl)-2-methylidenenonanoic acid (PubChem CID 20544233) has the molecular formula C16H21ClO2 and a molecular weight of 280.80 g/mol. Its IUPAC name is 9-(4-chlorophenyl)-2-methylidenenonanoic acid.

Molecular Properties

Compound Name9-(4-chlorophenyl)-2-methylidenenonanoic acid
PubChem CID20544233
Molecular FormulaC16H21ClO2
Molecular Weight280.80 g/mol
Exact Mass280.12
IUPAC Name9-(4-chlorophenyl)-2-methylidenenonanoic acid
SMILESC=C(CCCCCCCc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C16H21ClO2/c1-13(16(18)19)7-5-3-2-4-6-8-14-9-11-15(17)12-10-14/h9-12H,1-8H2,(H,18,19)
InChIKeyUDOLGUVXXIDBIO-UHFFFAOYSA-N
XLogP4.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylidene-12-phenyldodecanoic acid
CID 54253232
2-methylidene-6-[4-(N-phenylanilino)phenyl]hexanoic acid
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5-(4-chlorophenyl)pentanoyl fluoride
CID 142840558
2,11-dimethylidenedodecanedioic acid
CID 20542368
2-[4-(4-chlorophenyl)butyl]propanedioic acid
CID 135387064
7-(4-chlorophenyl)-2-hydroxy-2-methylheptanoic acid
CID 150559838
3,3-dichloro-13-(4-chlorophenyl)tridec-1-en-2-ol
CID 89217400
6-(4-chlorophenyl)hex-1-en-3-one
CID 145267913
6-[4-(4-chlorophenyl)butanoylamino]hexanoic acid
CID 94966413
18-[4-(18-amino-18-oxooctadecyl)phenyl]octadecanamide
CID 66765992
7-[2-[3-(4-chlorophenyl)propyl]thiophen-3-yl]heptanoic acid
CID 15666579
2-methylidene-6-[3-(trifluoromethyl)phenyl]hexanoic acid
CID 142067095

Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorophenyl)-2-methylidenenonanoic acid?
The IUPAC name of 9-(4-chlorophenyl)-2-methylidenenonanoic acid (CID 20544233) is 9-(4-chlorophenyl)-2-methylidenenonanoic acid.
What is the SMILES notation for 9-(4-chlorophenyl)-2-methylidenenonanoic acid?
The canonical SMILES for 9-(4-chlorophenyl)-2-methylidenenonanoic acid is C=C(CCCCCCCc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 9-(4-chlorophenyl)-2-methylidenenonanoic acid?
The InChIKey is UDOLGUVXXIDBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO2/c1-13(16(18)19)7-5-3-2-4-6-8-14-9-11-15(17)12-10-14/h9-12H,1-8H2,(H,18,19).
What are the key properties of 9-(4-chlorophenyl)-2-methylidenenonanoic acid?
9-(4-chlorophenyl)-2-methylidenenonanoic acid has a molecular weight of 280.80 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorophenyl)-2-methylidenenonanoic acid is sourced from PubChem (CID 20544233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).