2-methylidene-4,5-diphenylhex-5-enoic acid

C19H18O2 — CID 22146396

IUPAC2-methylidene-4,5-diphenylhex-5-enoic acid
SMILESC=C(CC(C(=C)c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C19H18O2/c1-14(19(20)21)13-18(17-11-7-4-8-12-17)15(2)16-9-5-3-6-10-16/h3-12,18H,1-2,13H2,(H,20,21)
InChIKeyGFWFWSWYVVWLTJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.51
Rot. Bonds6

About 2-methylidene-4,5-diphenylhex-5-enoic acid

2-methylidene-4,5-diphenylhex-5-enoic acid (PubChem CID 22146396) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-methylidene-4,5-diphenylhex-5-enoic acid.

Molecular Properties

Compound Name2-methylidene-4,5-diphenylhex-5-enoic acid
PubChem CID22146396
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name2-methylidene-4,5-diphenylhex-5-enoic acid
SMILESC=C(CC(C(=C)c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C19H18O2/c1-14(19(20)21)13-18(17-11-7-4-8-12-17)15(2)16-9-5-3-6-10-16/h3-12,18H,1-2,13H2,(H,20,21)
InChIKeyGFWFWSWYVVWLTJ-UHFFFAOYSA-N
XLogP4.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methylidene-4,5-diphenylhex-5-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,5R)-4-hydroxy-2-methylidene-5-phenylhexanoic acid
CID 10036404
2-methylidene-4-phenoxy-4-phenylbutanoic acid
CID 126685900
(6-methyl-2-phenylhepta-1,5-dien-3-yl)benzene
CID 71416480
(2S)-4-oxo-2,4-diphenylbutanoic acid
CID 6950859
1,2-diphenylprop-2-en-1-ol
CID 11586526
4-nitro-1,3,5-triphenylhex-5-en-1-one
CID 74078480
(3R,4R)-4-nitro-1,3,5-triphenylhex-5-en-1-one
CID 101440460
(3R)-1,3-diphenylpentane-1,4-dione
CID 90658388
2-methylidene-6,6-diphenylhexanoic acid
CID 69118432
(2S)-4-oxo-2,4-diphenylbutanoate
CID 6950858
1,2-diphenylpentane-1,4-dione
CID 13184730
2-[(benzhydrylamino)methyl]prop-2-enoic acid
CID 103237178

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4,5-diphenylhex-5-enoic acid?
The IUPAC name of 2-methylidene-4,5-diphenylhex-5-enoic acid (CID 22146396) is 2-methylidene-4,5-diphenylhex-5-enoic acid.
What is the SMILES notation for 2-methylidene-4,5-diphenylhex-5-enoic acid?
The canonical SMILES for 2-methylidene-4,5-diphenylhex-5-enoic acid is C=C(CC(C(=C)c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of 2-methylidene-4,5-diphenylhex-5-enoic acid?
The InChIKey is GFWFWSWYVVWLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-14(19(20)21)13-18(17-11-7-4-8-12-17)15(2)16-9-5-3-6-10-16/h3-12,18H,1-2,13H2,(H,20,21).
What are the key properties of 2-methylidene-4,5-diphenylhex-5-enoic acid?
2-methylidene-4,5-diphenylhex-5-enoic acid has a molecular weight of 278.35 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4,5-diphenylhex-5-enoic acid is sourced from PubChem (CID 22146396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).