bis[4-(2-prop-1-enylphenoxy)phenyl]methanone

C31H26O3 — CID 3458330

IUPACbis[4-(2-prop-1-enylphenoxy)phenyl]methanone
SMILESCC=Cc1ccccc1Oc1ccc(C(=O)c2ccc(Oc3ccccc3C=CC)cc2)cc1
InChIInChI=1S/C31H26O3/c1-3-9-23-11-5-7-13-29(23)33-27-19-15-25(16-20-27)31(32)26-17-21-28(22-18-26)34-30-14-8-6-12-24(30)10-4-2/h3-22H,1-2H3
InChIKeyJRZSSQRNBKDVDD-UHFFFAOYSA-N
MW446.55 g/mol
LogP8.57
Rot. Bonds8

About bis[4-(2-prop-1-enylphenoxy)phenyl]methanone

bis[4-(2-prop-1-enylphenoxy)phenyl]methanone (PubChem CID 3458330) has the molecular formula C31H26O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is bis[4-(2-prop-1-enylphenoxy)phenyl]methanone.

Molecular Properties

Compound Namebis[4-(2-prop-1-enylphenoxy)phenyl]methanone
PubChem CID3458330
Molecular FormulaC31H26O3
Molecular Weight446.55 g/mol
Exact Mass446.19
IUPAC Namebis[4-(2-prop-1-enylphenoxy)phenyl]methanone
SMILESCC=Cc1ccccc1Oc1ccc(C(=O)c2ccc(Oc3ccccc3C=CC)cc2)cc1
InChIInChI=1S/C31H26O3/c1-3-9-23-11-5-7-13-29(23)33-27-19-15-25(16-20-27)31(32)26-17-21-28(22-18-26)34-30-14-8-6-12-24(30)10-4-2/h3-22H,1-2H3
InChIKeyJRZSSQRNBKDVDD-UHFFFAOYSA-N
XLogP8.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis[4-(2-prop-1-enylphenoxy)phenyl]methanone?
The IUPAC name of bis[4-(2-prop-1-enylphenoxy)phenyl]methanone (CID 3458330) is bis[4-(2-prop-1-enylphenoxy)phenyl]methanone.
What is the SMILES notation for bis[4-(2-prop-1-enylphenoxy)phenyl]methanone?
The canonical SMILES for bis[4-(2-prop-1-enylphenoxy)phenyl]methanone is CC=Cc1ccccc1Oc1ccc(C(=O)c2ccc(Oc3ccccc3C=CC)cc2)cc1.
What is the InChIKey of bis[4-(2-prop-1-enylphenoxy)phenyl]methanone?
The InChIKey is JRZSSQRNBKDVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26O3/c1-3-9-23-11-5-7-13-29(23)33-27-19-15-25(16-20-27)31(32)26-17-21-28(22-18-26)34-30-14-8-6-12-24(30)10-4-2/h3-22H,1-2H3.
What are the key properties of bis[4-(2-prop-1-enylphenoxy)phenyl]methanone?
bis[4-(2-prop-1-enylphenoxy)phenyl]methanone has a molecular weight of 446.55 g/mol, XLogP of 8.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(2-prop-1-enylphenoxy)phenyl]methanone is sourced from PubChem (CID 3458330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).