4-(2-hydroxyethyl)-2-[1-[2-hydroxy-5-(2-hydroxyethyl)-3-(1-methylcyclopentyl)phenyl]-2-methylpropyl]-6-(1-methylcyclopentyl)phenol

C32H46O4 — CID 23520892

IUPAC4-(2-hydroxyethyl)-2-[1-[2-hydroxy-5-(2-hydroxyethyl)-3-(1-methylcyclopentyl)phenyl]-2-methylpropyl]-6-(1-methylcyclopentyl)phenol
SMILESCC(C)C(c1cc(CCO)cc(C2(C)CCCC2)c1O)c1cc(CCO)cc(C2(C)CCCC2)c1O
InChIInChI=1S/C32H46O4/c1-21(2)28(24-17-22(9-15-33)19-26(29(24)35)31(3)11-5-6-12-31)25-18-23(10-16-34)20-27(30(25)36)32(4)13-7-8-14-32/h17-21,28,33-36H,5-16H2,1-4H3
InChIKeyDDDOKSCSNFYYGD-UHFFFAOYSA-N
MW494.72 g/mol
LogP6.62
Rot. Bonds9

About 4-(2-hydroxyethyl)-2-[1-[2-hydroxy-5-(2-hydroxyethyl)-3-(1-methylcyclopentyl)phenyl]-2-methylpropyl]-6-(1-methylcyclopentyl)phenol

4-(2-hydroxyethyl)-2-[1-[2-hydroxy-5-(2-hydroxyethyl)-3-(1-methylcyclopentyl)phenyl]-2-methylpropyl]-6-(1-methylcyclopentyl)phenol (PubChem CID 23520892) has the molecular formula C32H46O4 and a molecular weight of 494.72 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-2-[1-[2-hydroxy-5-(2-hydroxyethyl)-3-(1-methylcyclopentyl)phenyl]-2-methylpropyl]-6-(1-methylcyclopentyl)phenol.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-2-[1-[2-hydroxy-5-(2-hydroxyethyl)-3-(1-methylcyclopentyl)phenyl]-2-methylpropyl]-6-(1-methylcyclopentyl)phenol
PubChem CID23520892
Molecular FormulaC32H46O4
Molecular Weight494.72 g/mol
Exact Mass494.34
IUPAC Name4-(2-hydroxyethyl)-2-[1-[2-hydroxy-5-(2-hydroxyethyl)-3-(1-methylcyclopentyl)phenyl]-2-methylpropyl]-6-(1-methylcyclopentyl)phenol
SMILESCC(C)C(c1cc(CCO)cc(C2(C)CCCC2)c1O)c1cc(CCO)cc(C2(C)CCCC2)c1O
InChIInChI=1S/C32H46O4/c1-21(2)28(24-17-22(9-15-33)19-26(29(24)35)31(3)11-5-6-12-31)25-18-23(10-16-34)20-27(30(25)36)32(4)13-7-8-14-32/h17-21,28,33-36H,5-16H2,1-4H3
InChIKeyDDDOKSCSNFYYGD-UHFFFAOYSA-N
XLogP6.62
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.72
LogP ≤ 56.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-2-[1-[2-hydroxy-5-(2-hydroxyethyl)-3-(1-methylcyclopentyl)phenyl]-2-methylpropyl]-6-(1-methylcyclopentyl)phenol?
The IUPAC name of 4-(2-hydroxyethyl)-2-[1-[2-hydroxy-5-(2-hydroxyethyl)-3-(1-methylcyclopentyl)phenyl]-2-methylpropyl]-6-(1-methylcyclopentyl)phenol (CID 23520892) is 4-(2-hydroxyethyl)-2-[1-[2-hydroxy-5-(2-hydroxyethyl)-3-(1-methylcyclopentyl)phenyl]-2-methylpropyl]-6-(1-methylcyclopentyl)phenol.
What is the SMILES notation for 4-(2-hydroxyethyl)-2-[1-[2-hydroxy-5-(2-hydroxyethyl)-3-(1-methylcyclopentyl)phenyl]-2-methylpropyl]-6-(1-methylcyclopentyl)phenol?
The canonical SMILES for 4-(2-hydroxyethyl)-2-[1-[2-hydroxy-5-(2-hydroxyethyl)-3-(1-methylcyclopentyl)phenyl]-2-methylpropyl]-6-(1-methylcyclopentyl)phenol is CC(C)C(c1cc(CCO)cc(C2(C)CCCC2)c1O)c1cc(CCO)cc(C2(C)CCCC2)c1O.
What is the InChIKey of 4-(2-hydroxyethyl)-2-[1-[2-hydroxy-5-(2-hydroxyethyl)-3-(1-methylcyclopentyl)phenyl]-2-methylpropyl]-6-(1-methylcyclopentyl)phenol?
The InChIKey is DDDOKSCSNFYYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46O4/c1-21(2)28(24-17-22(9-15-33)19-26(29(24)35)31(3)11-5-6-12-31)25-18-23(10-16-34)20-27(30(25)36)32(4)13-7-8-14-32/h17-21,28,33-36H,5-16H2,1-4H3.
What are the key properties of 4-(2-hydroxyethyl)-2-[1-[2-hydroxy-5-(2-hydroxyethyl)-3-(1-methylcyclopentyl)phenyl]-2-methylpropyl]-6-(1-methylcyclopentyl)phenol?
4-(2-hydroxyethyl)-2-[1-[2-hydroxy-5-(2-hydroxyethyl)-3-(1-methylcyclopentyl)phenyl]-2-methylpropyl]-6-(1-methylcyclopentyl)phenol has a molecular weight of 494.72 g/mol, XLogP of 6.62, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-2-[1-[2-hydroxy-5-(2-hydroxyethyl)-3-(1-methylcyclopentyl)phenyl]-2-methylpropyl]-6-(1-methylcyclopentyl)phenol is sourced from PubChem (CID 23520892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).