4,4-bis[4-(2-hydroxyethoxy)phenyl]-2-methylidenepentanoic acid

C22H26O6 — CID 19746566

IUPAC4,4-bis[4-(2-hydroxyethoxy)phenyl]-2-methylidenepentanoic acid
SMILESC=C(CC(C)(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1)C(=O)O
InChIInChI=1S/C22H26O6/c1-16(21(25)26)15-22(2,17-3-7-19(8-4-17)27-13-11-23)18-5-9-20(10-6-18)28-14-12-24/h3-10,23-24H,1,11-15H2,2H3,(H,25,26)
InChIKeyKUXNYADQOYXNPR-UHFFFAOYSA-N
MW386.44 g/mol
LogP2.77
Rot. Bonds11

About 4,4-bis[4-(2-hydroxyethoxy)phenyl]-2-methylidenepentanoic acid

4,4-bis[4-(2-hydroxyethoxy)phenyl]-2-methylidenepentanoic acid (PubChem CID 19746566) has the molecular formula C22H26O6 and a molecular weight of 386.44 g/mol. Its IUPAC name is 4,4-bis[4-(2-hydroxyethoxy)phenyl]-2-methylidenepentanoic acid.

Molecular Properties

Compound Name4,4-bis[4-(2-hydroxyethoxy)phenyl]-2-methylidenepentanoic acid
PubChem CID19746566
Molecular FormulaC22H26O6
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Name4,4-bis[4-(2-hydroxyethoxy)phenyl]-2-methylidenepentanoic acid
SMILESC=C(CC(C)(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1)C(=O)O
InChIInChI=1S/C22H26O6/c1-16(21(25)26)15-22(2,17-3-7-19(8-4-17)27-13-11-23)18-5-9-20(10-6-18)28-14-12-24/h3-10,23-24H,1,11-15H2,2H3,(H,25,26)
InChIKeyKUXNYADQOYXNPR-UHFFFAOYSA-N
XLogP2.77
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4,4-bis[4-(2-hydroxyethoxy)phenyl]-2-methylidenepentanoic 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

2-methylidene-5-[4-(2-phenylpropan-2-yl)phenoxy]pentanoic acid
CID 66823070
2-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-ol
CID 117300551
2-[4-[2-[4-(2-hydroxyethoxy)phenyl]-5-methylhexan-2-yl]phenoxy]ethanol
CID 21187272
2-[4-[2-[4-(2-hydroxyethoxy)phenyl]dodecan-2-yl]phenoxy]ethanol
CID 139685224
2-[4-[2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol;3-hydroxy-4-oxo-4-sulfanylbutanoic acid
CID 88605760
2-[4-[1-[4-(2-hydroxyethoxy)phenyl]propyl]phenoxy]ethanol;bis(2-methylprop-2-enoic acid)
CID 70570069
2-[2-[4-[2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
CID 15607829
5-[4-(2-hydroxyethoxy)phenoxy]-2-(hydroxymethyl)-2-methylpentanoic acid
CID 59696091
4-tert-butyl-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 14698589
CID 162335780
CID 162335780
ethane;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol;hydrate
CID 144516438
2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-3-methylbut-3-en-1-one
CID 122419863

Frequently Asked Questions

What is the IUPAC name of 4,4-bis[4-(2-hydroxyethoxy)phenyl]-2-methylidenepentanoic acid?
The IUPAC name of 4,4-bis[4-(2-hydroxyethoxy)phenyl]-2-methylidenepentanoic acid (CID 19746566) is 4,4-bis[4-(2-hydroxyethoxy)phenyl]-2-methylidenepentanoic acid.
What is the SMILES notation for 4,4-bis[4-(2-hydroxyethoxy)phenyl]-2-methylidenepentanoic acid?
The canonical SMILES for 4,4-bis[4-(2-hydroxyethoxy)phenyl]-2-methylidenepentanoic acid is C=C(CC(C)(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1)C(=O)O.
What is the InChIKey of 4,4-bis[4-(2-hydroxyethoxy)phenyl]-2-methylidenepentanoic acid?
The InChIKey is KUXNYADQOYXNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O6/c1-16(21(25)26)15-22(2,17-3-7-19(8-4-17)27-13-11-23)18-5-9-20(10-6-18)28-14-12-24/h3-10,23-24H,1,11-15H2,2H3,(H,25,26).
What are the key properties of 4,4-bis[4-(2-hydroxyethoxy)phenyl]-2-methylidenepentanoic acid?
4,4-bis[4-(2-hydroxyethoxy)phenyl]-2-methylidenepentanoic acid has a molecular weight of 386.44 g/mol, XLogP of 2.77, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis[4-(2-hydroxyethoxy)phenyl]-2-methylidenepentanoic acid is sourced from PubChem (CID 19746566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).