2-methylidene-12-phenyldodecanoic acid

C19H28O2 — CID 54253232

IUPAC2-methylidene-12-phenyldodecanoic acid
SMILESC=C(CCCCCCCCCCc1ccccc1)C(=O)O
InChIInChI=1S/C19H28O2/c1-17(19(20)21)13-9-6-4-2-3-5-7-10-14-18-15-11-8-12-16-18/h8,11-12,15-16H,1-7,9-10,13-14H2,(H,20,21)
InChIKeyQYFSZEPCDIDFCX-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.38
Rot. Bonds12

About 2-methylidene-12-phenyldodecanoic acid

2-methylidene-12-phenyldodecanoic acid (PubChem CID 54253232) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-methylidene-12-phenyldodecanoic acid.

Molecular Properties

Compound Name2-methylidene-12-phenyldodecanoic acid
PubChem CID54253232
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name2-methylidene-12-phenyldodecanoic acid
SMILESC=C(CCCCCCCCCCc1ccccc1)C(=O)O
InChIInChI=1S/C19H28O2/c1-17(19(20)21)13-9-6-4-2-3-5-7-10-14-18-15-11-8-12-16-18/h8,11-12,15-16H,1-7,9-10,13-14H2,(H,20,21)
InChIKeyQYFSZEPCDIDFCX-UHFFFAOYSA-N
XLogP5.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.38
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

9-(4-chlorophenyl)-2-methylidenenonanoic acid
CID 20544233
2-methylidene-6-[4-(N-phenylanilino)phenyl]hexanoic acid
CID 18766696
15-phenylpentadecanoic acid
CID 2737151
1,9-diphenylnonan-5-one
CID 23467830
2-methylidene-6-[3-(trifluoromethyl)phenyl]hexanoic acid
CID 142067095
2,11-dimethylidenedodecanedioic acid
CID 20542368
sodium;hydride;15-phenylpentadecanoic acid;selane
CID 174846933
sodium;hydride;12-phenyldodecanoic acid;selane
CID 174847736
potassium 15-phenylpentadecanoate
CID 23717018
2-methylidene-9-phenoxynonanoic acid
CID 57103859
2-methyl-9-phenylnonan-3-one
CID 58366233
N-methyl-9-phenylnonanamide
CID 118028570

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-12-phenyldodecanoic acid?
The IUPAC name of 2-methylidene-12-phenyldodecanoic acid (CID 54253232) is 2-methylidene-12-phenyldodecanoic acid.
What is the SMILES notation for 2-methylidene-12-phenyldodecanoic acid?
The canonical SMILES for 2-methylidene-12-phenyldodecanoic acid is C=C(CCCCCCCCCCc1ccccc1)C(=O)O.
What is the InChIKey of 2-methylidene-12-phenyldodecanoic acid?
The InChIKey is QYFSZEPCDIDFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-17(19(20)21)13-9-6-4-2-3-5-7-10-14-18-15-11-8-12-16-18/h8,11-12,15-16H,1-7,9-10,13-14H2,(H,20,21).
What are the key properties of 2-methylidene-12-phenyldodecanoic acid?
2-methylidene-12-phenyldodecanoic acid has a molecular weight of 288.43 g/mol, XLogP of 5.38, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-12-phenyldodecanoic acid is sourced from PubChem (CID 54253232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).