2-[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol;bis(2-methylprop-2-enoic acid)

C32H34O8 — CID 86743802

About 2-[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol;bis(2-methylprop-2-enoic acid)

2-[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol;bis(2-methylprop-2-enoic acid) (PubChem CID 86743802) has the molecular formula C32H34O8 and a molecular weight of 546.62 g/mol. Its IUPAC name is 2-[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol;bis(2-methylprop-2-enoic acid).

Molecular Properties

• Compound Name: 2-[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol;bis(2-methylprop-2-enoic acid)
• PubChem CID: 86743802
• Molecular Formula: C32H34O8
• Molecular Weight: 546.62 g/mol
• Exact Mass: 546.23
• IUPAC Name: 2-[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol;bis(2-methylprop-2-enoic acid)
• SMILES: C=C(C)C(=O)O.C=C(C)C(=O)O.OCCOc1ccc2ccccc2c1-c1c(OCCO)ccc2ccccc12
• InChI: InChI=1S/C24H22O4.2C4H6O2/c25-13-15-27-21-11-9-17-5-1-3-7-19(17)23(21)24-20-8-4-2-6-18(20)10-12-22(24)28-16-14-26;2*1-3(2)4(5)6/h1-12,25-26H,13-16H2;2*1H2,2H3,(H,5,6)
• InChIKey: UOXAIIRFOMDINO-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 133.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.62
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol;bis(2-methylprop-2-enoic acid)?

The IUPAC name of 2-[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol;bis(2-methylprop-2-enoic acid) (CID 86743802) is 2-[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol;bis(2-methylprop-2-enoic acid).

What is the SMILES notation for 2-[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol;bis(2-methylprop-2-enoic acid)?

The canonical SMILES for 2-[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.OCCOc1ccc2ccccc2c1-c1c(OCCO)ccc2ccccc12.

What is the InChIKey of 2-[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol;bis(2-methylprop-2-enoic acid)?

The InChIKey is UOXAIIRFOMDINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O4.2C4H6O2/c25-13-15-27-21-11-9-17-5-1-3-7-19(17)23(21)24-20-8-4-2-6-18(20)10-12-22(24)28-16-14-26;2*1-3(2)4(5)6/h1-12,25-26H,13-16H2;2*1H2,2H3,(H,5,6).

What are the key properties of 2-[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol;bis(2-methylprop-2-enoic acid)?

2-[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol;bis(2-methylprop-2-enoic acid) has a molecular weight of 546.62 g/mol, XLogP of 5.70, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 86743802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).