2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylprop-2-enoic acid)

C27H38O9 — CID 67847985

About 2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylprop-2-enoic acid)

2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylprop-2-enoic acid) (PubChem CID 67847985) has the molecular formula C27H38O9 and a molecular weight of 506.59 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylprop-2-enoic acid).

Molecular Properties

• Compound Name: 2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylprop-2-enoic acid)
• PubChem CID: 67847985
• Molecular Formula: C27H38O9
• Molecular Weight: 506.59 g/mol
• Exact Mass: 506.25
• IUPAC Name: 2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylprop-2-enoic acid)
• SMILES: C=C(C)C(=O)O.C=C(C)C(=O)O.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.OCCOCCO
• InChI: InChI=1S/C15H16O2.C4H10O3.2C4H6O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;5-1-3-7-4-2-6;2*1-3(2)4(5)6/h3-10,16-17H,1-2H3;5-6H,1-4H2;2*1H2,2H3,(H,5,6)
• InChIKey: DZVQNYLIVUWDPG-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 164.75 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.59
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylprop-2-enoic acid)?

The IUPAC name of 2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylprop-2-enoic acid) (CID 67847985) is 2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylprop-2-enoic acid).

What is the SMILES notation for 2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylprop-2-enoic acid)?

The canonical SMILES for 2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.OCCOCCO.

What is the InChIKey of 2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylprop-2-enoic acid)?

The InChIKey is DZVQNYLIVUWDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.C4H10O3.2C4H6O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;5-1-3-7-4-2-6;2*1-3(2)4(5)6/h3-10,16-17H,1-2H3;5-6H,1-4H2;2*1H2,2H3,(H,5,6).

What are the key properties of 2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylprop-2-enoic acid)?

2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylprop-2-enoic acid) has a molecular weight of 506.59 g/mol, XLogP of 3.71, 8 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-hydroxyethoxy)ethanol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 67847985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).