2-methylidene-6,6-diphenylhexanoic acid

C19H20O2 — CID 69118432

IUPAC2-methylidene-6,6-diphenylhexanoic acid
SMILESC=C(CCCC(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C19H20O2/c1-15(19(20)21)9-8-14-18(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13,18H,1,8-9,14H2,(H,20,21)
InChIKeyRAZNZSOFHCUOHG-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.63
Rot. Bonds7

About 2-methylidene-6,6-diphenylhexanoic acid

2-methylidene-6,6-diphenylhexanoic acid (PubChem CID 69118432) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-methylidene-6,6-diphenylhexanoic acid.

Molecular Properties

Compound Name2-methylidene-6,6-diphenylhexanoic acid
PubChem CID69118432
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name2-methylidene-6,6-diphenylhexanoic acid
SMILESC=C(CCCC(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C19H20O2/c1-15(19(20)21)9-8-14-18(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13,18H,1,8-9,14H2,(H,20,21)
InChIKeyRAZNZSOFHCUOHG-UHFFFAOYSA-N
XLogP4.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6,6-diphenylhex-1-en-2-amine
CID 129049790
CID 66774794
CID 66774794
methyl 5,5-diphenylpentanoate
CID 10923549
2-methylidene-12-phenyldodecanoic acid
CID 54253232
2-methylidene-9-phenoxynonanoic acid
CID 57103859
(4R,5R)-4-hydroxy-2-methylidene-5-phenylhexanoic acid
CID 10036404
2,11-dimethylidenedodecanedioic acid
CID 20542368
5-phenylnonanedioic acid
CID 54103206
2-methylidene-4-phenoxy-4-phenylbutanoic acid
CID 126685900
2-[(benzhydrylamino)methyl]prop-2-enoic acid
CID 103237178
5-carbazol-9-yl-2-methylidenepentanoic acid
CID 67001914
2-methylidene-5-(3-phenoxypropoxy)pentanoic acid
CID 70178682

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-6,6-diphenylhexanoic acid?
The IUPAC name of 2-methylidene-6,6-diphenylhexanoic acid (CID 69118432) is 2-methylidene-6,6-diphenylhexanoic acid.
What is the SMILES notation for 2-methylidene-6,6-diphenylhexanoic acid?
The canonical SMILES for 2-methylidene-6,6-diphenylhexanoic acid is C=C(CCCC(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of 2-methylidene-6,6-diphenylhexanoic acid?
The InChIKey is RAZNZSOFHCUOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-15(19(20)21)9-8-14-18(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13,18H,1,8-9,14H2,(H,20,21).
What are the key properties of 2-methylidene-6,6-diphenylhexanoic acid?
2-methylidene-6,6-diphenylhexanoic acid has a molecular weight of 280.37 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-6,6-diphenylhexanoic acid is sourced from PubChem (CID 69118432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).