2-hydroxy-1-[4-[10-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]decoxymethyl]phenyl]-2-methylpropan-1-one

C32H46O6 — CID 91546266

IUPAC2-hydroxy-1-[4-[10-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]decoxymethyl]phenyl]-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)c1ccc(COCCCCCCCCCCOCc2ccc(C(=O)C(C)(C)O)cc2)cc1
InChIInChI=1S/C32H46O6/c1-31(2,35)29(33)27-17-13-25(14-18-27)23-37-21-11-9-7-5-6-8-10-12-22-38-24-26-15-19-28(20-16-26)30(34)32(3,4)36/h13-20,35-36H,5-12,21-24H2,1-4H3
InChIKeyPRGZZKUZLNZVFY-UHFFFAOYSA-N
MW526.71 g/mol
LogP6.45
Rot. Bonds19

About 2-hydroxy-1-[4-[10-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]decoxymethyl]phenyl]-2-methylpropan-1-one

2-hydroxy-1-[4-[10-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]decoxymethyl]phenyl]-2-methylpropan-1-one (PubChem CID 91546266) has the molecular formula C32H46O6 and a molecular weight of 526.71 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[10-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]decoxymethyl]phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-[4-[10-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]decoxymethyl]phenyl]-2-methylpropan-1-one
PubChem CID91546266
Molecular FormulaC32H46O6
Molecular Weight526.71 g/mol
Exact Mass526.33
IUPAC Name2-hydroxy-1-[4-[10-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]decoxymethyl]phenyl]-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)c1ccc(COCCCCCCCCCCOCc2ccc(C(=O)C(C)(C)O)cc2)cc1
InChIInChI=1S/C32H46O6/c1-31(2,35)29(33)27-17-13-25(14-18-27)23-37-21-11-9-7-5-6-8-10-12-22-38-24-26-15-19-28(20-16-26)30(34)32(3,4)36/h13-20,35-36H,5-12,21-24H2,1-4H3
InChIKeyPRGZZKUZLNZVFY-UHFFFAOYSA-N
XLogP6.45
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.71
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-1-[4-[12-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]dodecoxymethyl]phenyl]-2-methylpropan-1-one
CID 68739413
2-hydroxy-1-[4-[6-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]hexoxymethyl]phenyl]-2-methylpropan-1-one
CID 91446599
2-hydroxy-1-[4-[2-[2-[2-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]-2-methylpropan-1-one
CID 68740379
2-hydroxy-1-[4-[[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one
CID 68738644
[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl acetate
CID 68741075
bis[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl] benzene-1,3-dicarboxylate
CID 68739678
4-(3,3-dimethylbutoxymethyl)benzoic acid
CID 66232430
2-hydroxy-1-[4-[6-hydroxyhexoxy-[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one
CID 69038874
4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxycarbonylamino]butylcarbamic acid
CID 91603559
4-[4-(2-hydroxy-2-methylpropanoyl)phenyl]butanoic acid
CID 21191564
2-[bis(2-methoxyethyl)amino]-1-[4-[[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one
CID 141225663
2-(dibutylamino)-1-[4-[[4-[2-(dibutylamino)-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one
CID 141225671

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[10-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]decoxymethyl]phenyl]-2-methylpropan-1-one?
The IUPAC name of 2-hydroxy-1-[4-[10-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]decoxymethyl]phenyl]-2-methylpropan-1-one (CID 91546266) is 2-hydroxy-1-[4-[10-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]decoxymethyl]phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 2-hydroxy-1-[4-[10-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]decoxymethyl]phenyl]-2-methylpropan-1-one?
The canonical SMILES for 2-hydroxy-1-[4-[10-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]decoxymethyl]phenyl]-2-methylpropan-1-one is CC(C)(O)C(=O)c1ccc(COCCCCCCCCCCOCc2ccc(C(=O)C(C)(C)O)cc2)cc1.
What is the InChIKey of 2-hydroxy-1-[4-[10-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]decoxymethyl]phenyl]-2-methylpropan-1-one?
The InChIKey is PRGZZKUZLNZVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46O6/c1-31(2,35)29(33)27-17-13-25(14-18-27)23-37-21-11-9-7-5-6-8-10-12-22-38-24-26-15-19-28(20-16-26)30(34)32(3,4)36/h13-20,35-36H,5-12,21-24H2,1-4H3.
What are the key properties of 2-hydroxy-1-[4-[10-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]decoxymethyl]phenyl]-2-methylpropan-1-one?
2-hydroxy-1-[4-[10-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]decoxymethyl]phenyl]-2-methylpropan-1-one has a molecular weight of 526.71 g/mol, XLogP of 6.45, 19 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[10-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]decoxymethyl]phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 91546266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).