methane;phenol;bis(2-propan-2-ylphenol)

C37H46O5 — CID 162153244

IUPACmethane;phenol;bis(2-propan-2-ylphenol)
SMILESC.CC(C)c1ccccc1O.CC(C)c1ccccc1O.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C9H12O.3C6H6O.CH4/c2*1-7(2)8-5-3-4-6-9(8)10;3*7-6-4-2-1-3-5-6;/h2*3-7,10H,1-2H3;3*1-5,7H;1H4
InChIKeyZLMKQWWLOTXETQ-UHFFFAOYSA-N
MW570.77 g/mol
LogP9.84
Rot. Bonds2

About methane;phenol;bis(2-propan-2-ylphenol)

methane;phenol;bis(2-propan-2-ylphenol) (PubChem CID 162153244) has the molecular formula C37H46O5 and a molecular weight of 570.77 g/mol. Its IUPAC name is methane;phenol;bis(2-propan-2-ylphenol).

Molecular Properties

Compound Namemethane;phenol;bis(2-propan-2-ylphenol)
PubChem CID162153244
Molecular FormulaC37H46O5
Molecular Weight570.77 g/mol
Exact Mass570.33
IUPAC Namemethane;phenol;bis(2-propan-2-ylphenol)
SMILESC.CC(C)c1ccccc1O.CC(C)c1ccccc1O.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C9H12O.3C6H6O.CH4/c2*1-7(2)8-5-3-4-6-9(8)10;3*7-6-4-2-1-3-5-6;/h2*3-7,10H,1-2H3;3*1-5,7H;1H4
InChIKeyZLMKQWWLOTXETQ-UHFFFAOYSA-N
XLogP9.84
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.77
LogP ≤ 59.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methane;phenol;bis(2-propan-2-ylphenol)?
The IUPAC name of methane;phenol;bis(2-propan-2-ylphenol) (CID 162153244) is methane;phenol;bis(2-propan-2-ylphenol).
What is the SMILES notation for methane;phenol;bis(2-propan-2-ylphenol)?
The canonical SMILES for methane;phenol;bis(2-propan-2-ylphenol) is C.CC(C)c1ccccc1O.CC(C)c1ccccc1O.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of methane;phenol;bis(2-propan-2-ylphenol)?
The InChIKey is ZLMKQWWLOTXETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12O.3C6H6O.CH4/c2*1-7(2)8-5-3-4-6-9(8)10;3*7-6-4-2-1-3-5-6;/h2*3-7,10H,1-2H3;3*1-5,7H;1H4.
What are the key properties of methane;phenol;bis(2-propan-2-ylphenol)?
methane;phenol;bis(2-propan-2-ylphenol) has a molecular weight of 570.77 g/mol, XLogP of 9.84, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;phenol;bis(2-propan-2-ylphenol) is sourced from PubChem (CID 162153244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).