bis(2-methylpropane);bis(2-phenyl-4-(3-phenyl-4-prop-1-en-2-yloxyphenyl)phenol)

C62H64O4 — CID 143426467

IUPACbis(2-methylpropane);bis(2-phenyl-4-(3-phenyl-4-prop-1-en-2-yloxyphenyl)phenol)
SMILESC=C(C)Oc1ccc(-c2ccc(O)c(-c3ccccc3)c2)cc1-c1ccccc1.C=C(C)Oc1ccc(-c2ccc(O)c(-c3ccccc3)c2)cc1-c1ccccc1.CC(C)C.CC(C)C
InChIInChI=1S/2C27H22O2.2C4H10/c2*1-19(2)29-27-16-14-23(18-25(27)21-11-7-4-8-12-21)22-13-15-26(28)24(17-22)20-9-5-3-6-10-20;2*1-4(2)3/h2*3-18,28H,1H2,2H3;2*4H,1-3H3
InChIKeyFOJKHIMWARPEDK-UHFFFAOYSA-N
MW873.19 g/mol
LogP17.94
Rot. Bonds10

About bis(2-methylpropane);bis(2-phenyl-4-(3-phenyl-4-prop-1-en-2-yloxyphenyl)phenol)

bis(2-methylpropane);bis(2-phenyl-4-(3-phenyl-4-prop-1-en-2-yloxyphenyl)phenol) (PubChem CID 143426467) has the molecular formula C62H64O4 and a molecular weight of 873.19 g/mol. Its IUPAC name is bis(2-methylpropane);bis(2-phenyl-4-(3-phenyl-4-prop-1-en-2-yloxyphenyl)phenol).

Molecular Properties

Compound Namebis(2-methylpropane);bis(2-phenyl-4-(3-phenyl-4-prop-1-en-2-yloxyphenyl)phenol)
PubChem CID143426467
Molecular FormulaC62H64O4
Molecular Weight873.19 g/mol
Exact Mass872.48
IUPAC Namebis(2-methylpropane);bis(2-phenyl-4-(3-phenyl-4-prop-1-en-2-yloxyphenyl)phenol)
SMILESC=C(C)Oc1ccc(-c2ccc(O)c(-c3ccccc3)c2)cc1-c1ccccc1.C=C(C)Oc1ccc(-c2ccc(O)c(-c3ccccc3)c2)cc1-c1ccccc1.CC(C)C.CC(C)C
InChIInChI=1S/2C27H22O2.2C4H10/c2*1-19(2)29-27-16-14-23(18-25(27)21-11-7-4-8-12-21)22-13-15-26(28)24(17-22)20-9-5-3-6-10-20;2*1-4(2)3/h2*3-18,28H,1H2,2H3;2*4H,1-3H3
InChIKeyFOJKHIMWARPEDK-UHFFFAOYSA-N
XLogP17.94
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.19
LogP ≤ 517.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2,4-diphenylphenyl) acetate
CID 57057849
4-(4-hydroxy-3-phenylphenyl)-2-methylphenol
CID 139534984
(2,4-diphenylphenyl) hydrogen carbonate
CID 121292233
4-[1-(4-hydroxy-3-phenylphenyl)ethyl]-2-phenylphenol
CID 22492717
1-(2,4-diphenylphenoxy)-2,4-diphenylbenzene
CID 90004343
[4-(4-hydroxy-3-phenylphenyl)sulfanyl-2-phenylphenyl] prop-2-enoate
CID 163537860
6-(4-hydroxy-3-phenylphenyl)naphthalen-1-ol
CID 56648217
(2-hydroxy-5-phenylphenyl) acetate
CID 19755516
[4-[1-[4-(2-methylprop-2-enoyloxy)-3-phenylphenyl]-1-(4-phenylphenyl)ethyl]-2-phenylphenyl] 2-methylprop-2-enoate
CID 135225860
4-[bis(4-hydroxy-3-phenylphenyl)methyl]-2-phenylphenol
CID 140882520
1-propan-2-yl-2-prop-1-en-2-yloxybenzene
CID 22935766
(4-hydroxy-2-methyl-5-phenylphenyl) acetate
CID 10728858

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropane);bis(2-phenyl-4-(3-phenyl-4-prop-1-en-2-yloxyphenyl)phenol)?
The IUPAC name of bis(2-methylpropane);bis(2-phenyl-4-(3-phenyl-4-prop-1-en-2-yloxyphenyl)phenol) (CID 143426467) is bis(2-methylpropane);bis(2-phenyl-4-(3-phenyl-4-prop-1-en-2-yloxyphenyl)phenol).
What is the SMILES notation for bis(2-methylpropane);bis(2-phenyl-4-(3-phenyl-4-prop-1-en-2-yloxyphenyl)phenol)?
The canonical SMILES for bis(2-methylpropane);bis(2-phenyl-4-(3-phenyl-4-prop-1-en-2-yloxyphenyl)phenol) is C=C(C)Oc1ccc(-c2ccc(O)c(-c3ccccc3)c2)cc1-c1ccccc1.C=C(C)Oc1ccc(-c2ccc(O)c(-c3ccccc3)c2)cc1-c1ccccc1.CC(C)C.CC(C)C.
What is the InChIKey of bis(2-methylpropane);bis(2-phenyl-4-(3-phenyl-4-prop-1-en-2-yloxyphenyl)phenol)?
The InChIKey is FOJKHIMWARPEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H22O2.2C4H10/c2*1-19(2)29-27-16-14-23(18-25(27)21-11-7-4-8-12-21)22-13-15-26(28)24(17-22)20-9-5-3-6-10-20;2*1-4(2)3/h2*3-18,28H,1H2,2H3;2*4H,1-3H3.
What are the key properties of bis(2-methylpropane);bis(2-phenyl-4-(3-phenyl-4-prop-1-en-2-yloxyphenyl)phenol)?
bis(2-methylpropane);bis(2-phenyl-4-(3-phenyl-4-prop-1-en-2-yloxyphenyl)phenol) has a molecular weight of 873.19 g/mol, XLogP of 17.94, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropane);bis(2-phenyl-4-(3-phenyl-4-prop-1-en-2-yloxyphenyl)phenol) is sourced from PubChem (CID 143426467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).