2-hydroxy-1-[4-[[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one

C30H34O6 — CID 68738644

IUPAC2-hydroxy-1-[4-[[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)c1ccc(COCc2ccc(COCc3ccc(C(=O)C(C)(C)O)cc3)cc2)cc1
InChIInChI=1S/C30H34O6/c1-29(2,33)27(31)25-13-9-23(10-14-25)19-35-17-21-5-7-22(8-6-21)18-36-20-24-11-15-26(16-12-24)28(32)30(3,4)34/h5-16,33-34H,17-20H2,1-4H3
InChIKeyQIDOCXJMBCXIOQ-UHFFFAOYSA-N
MW490.60 g/mol
LogP5.03
Rot. Bonds12

About 2-hydroxy-1-[4-[[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one

2-hydroxy-1-[4-[[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one (PubChem CID 68738644) has the molecular formula C30H34O6 and a molecular weight of 490.60 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-[4-[[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one
PubChem CID68738644
Molecular FormulaC30H34O6
Molecular Weight490.60 g/mol
Exact Mass490.24
IUPAC Name2-hydroxy-1-[4-[[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one
SMILESCC(C)(O)C(=O)c1ccc(COCc2ccc(COCc3ccc(C(=O)C(C)(C)O)cc3)cc2)cc1
InChIInChI=1S/C30H34O6/c1-29(2,33)27(31)25-13-9-23(10-14-25)19-35-17-21-5-7-22(8-6-21)18-36-20-24-11-15-26(16-12-24)28(32)30(3,4)34/h5-16,33-34H,17-20H2,1-4H3
InChIKeyQIDOCXJMBCXIOQ-UHFFFAOYSA-N
XLogP5.03
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[10-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]decoxymethyl]phenyl]-2-methylpropan-1-one
CID 91546266
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
[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl acetate
CID 68741075
bis[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl] benzene-1,3-dicarboxylate
CID 68739678
2-hydroxy-2-methyl-1-[4-[(4-methylphenyl)methyl]phenyl]propan-1-one
CID 164767991
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
4-(3,3-dimethylbutoxymethyl)benzoic acid
CID 66232430
4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxycarbonylamino]butylcarbamic acid
CID 91603559
1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one
CID 18728715

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one?
The IUPAC name of 2-hydroxy-1-[4-[[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one (CID 68738644) is 2-hydroxy-1-[4-[[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 2-hydroxy-1-[4-[[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one?
The canonical SMILES for 2-hydroxy-1-[4-[[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one is CC(C)(O)C(=O)c1ccc(COCc2ccc(COCc3ccc(C(=O)C(C)(C)O)cc3)cc2)cc1.
What is the InChIKey of 2-hydroxy-1-[4-[[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one?
The InChIKey is QIDOCXJMBCXIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O6/c1-29(2,33)27(31)25-13-9-23(10-14-25)19-35-17-21-5-7-22(8-6-21)18-36-20-24-11-15-26(16-12-24)28(32)30(3,4)34/h5-16,33-34H,17-20H2,1-4H3.
What are the key properties of 2-hydroxy-1-[4-[[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one?
2-hydroxy-1-[4-[[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one has a molecular weight of 490.60 g/mol, XLogP of 5.03, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 68738644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).