4-(2-chloroethyl)-2-[[5-(2-chloroethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]phenol

C24H32Cl2O5 — CID 11847811

IUPAC4-(2-chloroethyl)-2-[[5-(2-chloroethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]phenol
SMILESCOCCOCCOCCOc1ccc(CCCl)cc1Cc1cc(CCCl)ccc1O
InChIInChI=1S/C24H32Cl2O5/c1-28-10-11-29-12-13-30-14-15-31-24-5-3-20(7-9-26)17-22(24)18-21-16-19(6-8-25)2-4-23(21)27/h2-5,16-17,27H,6-15,18H2,1H3
InChIKeyKPFUXVVBOUQZQP-UHFFFAOYSA-N
MW471.42 g/mol
LogP4.60
Rot. Bonds16

About 4-(2-chloroethyl)-2-[[5-(2-chloroethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]phenol

4-(2-chloroethyl)-2-[[5-(2-chloroethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]phenol (PubChem CID 11847811) has the molecular formula C24H32Cl2O5 and a molecular weight of 471.42 g/mol. Its IUPAC name is 4-(2-chloroethyl)-2-[[5-(2-chloroethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]phenol.

Molecular Properties

Compound Name4-(2-chloroethyl)-2-[[5-(2-chloroethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]phenol
PubChem CID11847811
Molecular FormulaC24H32Cl2O5
Molecular Weight471.42 g/mol
Exact Mass470.16
IUPAC Name4-(2-chloroethyl)-2-[[5-(2-chloroethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]phenol
SMILESCOCCOCCOCCOc1ccc(CCCl)cc1Cc1cc(CCCl)ccc1O
InChIInChI=1S/C24H32Cl2O5/c1-28-10-11-29-12-13-30-14-15-31-24-5-3-20(7-9-26)17-22(24)18-21-16-19(6-8-25)2-4-23(21)27/h2-5,16-17,27H,6-15,18H2,1H3
InChIKeyKPFUXVVBOUQZQP-UHFFFAOYSA-N
XLogP4.60
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-2-[[5-(2-chloroethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]phenol?
The IUPAC name of 4-(2-chloroethyl)-2-[[5-(2-chloroethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]phenol (CID 11847811) is 4-(2-chloroethyl)-2-[[5-(2-chloroethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]phenol.
What is the SMILES notation for 4-(2-chloroethyl)-2-[[5-(2-chloroethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]phenol?
The canonical SMILES for 4-(2-chloroethyl)-2-[[5-(2-chloroethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]phenol is COCCOCCOCCOc1ccc(CCCl)cc1Cc1cc(CCCl)ccc1O.
What is the InChIKey of 4-(2-chloroethyl)-2-[[5-(2-chloroethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]phenol?
The InChIKey is KPFUXVVBOUQZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32Cl2O5/c1-28-10-11-29-12-13-30-14-15-31-24-5-3-20(7-9-26)17-22(24)18-21-16-19(6-8-25)2-4-23(21)27/h2-5,16-17,27H,6-15,18H2,1H3.
What are the key properties of 4-(2-chloroethyl)-2-[[5-(2-chloroethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]phenol?
4-(2-chloroethyl)-2-[[5-(2-chloroethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]phenol has a molecular weight of 471.42 g/mol, XLogP of 4.60, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-2-[[5-(2-chloroethyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]phenol is sourced from PubChem (CID 11847811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).