2-benzhydrylidenedecanoic acid

C23H28O2 — CID 174668181

IUPAC2-benzhydrylidenedecanoic acid
SMILESCCCCCCCCC(C(=O)O)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H28O2/c1-2-3-4-5-6-13-18-21(23(24)25)22(19-14-9-7-10-15-19)20-16-11-8-12-17-20/h7-12,14-17H,2-6,13,18H2,1H3,(H,24,25)
InChIKeyLNOGTHKFOWXICP-UHFFFAOYSA-N
MW336.48 g/mol
LogP6.32
Rot. Bonds10

About 2-benzhydrylidenedecanoic acid

2-benzhydrylidenedecanoic acid (PubChem CID 174668181) has the molecular formula C23H28O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-benzhydrylidenedecanoic acid.

Molecular Properties

Compound Name2-benzhydrylidenedecanoic acid
PubChem CID174668181
Molecular FormulaC23H28O2
Molecular Weight336.48 g/mol
Exact Mass336.21
IUPAC Name2-benzhydrylidenedecanoic acid
SMILESCCCCCCCCC(C(=O)O)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H28O2/c1-2-3-4-5-6-13-18-21(23(24)25)22(19-14-9-7-10-15-19)20-16-11-8-12-17-20/h7-12,14-17H,2-6,13,18H2,1H3,(H,24,25)
InChIKeyLNOGTHKFOWXICP-UHFFFAOYSA-N
XLogP6.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 56.32
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-[hydroxy(phenyl)methylidene]heptanoic acid
CID 70376341
nitroso 2-benzhydrylidenedecanoate
CID 174433360
(2-methyl-1-phenylhept-1-enyl)benzene
CID 173231724
1-phenylheptadecan-1-one
CID 577626
(E)-2,3-dioctadecylbut-2-enedioic acid
CID 87238050
(E)-2-(2-oxodecyl)-3-phenylbut-2-enedioic acid
CID 22289156
(Z)-3-methyl-2-phenylundec-2-enoic acid
CID 152642360
2-(1-phenylheptylidene)propanedioic acid
CID 90121852
2-butyl-3-octylbut-2-enedioic acid
CID 54144234
hexadecanoyl benzoate
CID 57040691
octanoyl benzoate
CID 15556056
(2Z)-2-(1-phenoxypropylidene)undecanoic acid
CID 66669493

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylidenedecanoic acid?
The IUPAC name of 2-benzhydrylidenedecanoic acid (CID 174668181) is 2-benzhydrylidenedecanoic acid.
What is the SMILES notation for 2-benzhydrylidenedecanoic acid?
The canonical SMILES for 2-benzhydrylidenedecanoic acid is CCCCCCCCC(C(=O)O)=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydrylidenedecanoic acid?
The InChIKey is LNOGTHKFOWXICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O2/c1-2-3-4-5-6-13-18-21(23(24)25)22(19-14-9-7-10-15-19)20-16-11-8-12-17-20/h7-12,14-17H,2-6,13,18H2,1H3,(H,24,25).
What are the key properties of 2-benzhydrylidenedecanoic acid?
2-benzhydrylidenedecanoic acid has a molecular weight of 336.48 g/mol, XLogP of 6.32, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylidenedecanoic acid is sourced from PubChem (CID 174668181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).