1,3-bis[4-(2-hydroxyphenyl)phenyl]propan-2-one

C27H22O3 — CID 70549715

IUPAC1,3-bis[4-(2-hydroxyphenyl)phenyl]propan-2-one
SMILESO=C(Cc1ccc(-c2ccccc2O)cc1)Cc1ccc(-c2ccccc2O)cc1
InChIInChI=1S/C27H22O3/c28-23(17-19-9-13-21(14-10-19)24-5-1-3-7-26(24)29)18-20-11-15-22(16-12-20)25-6-2-4-8-27(25)30/h1-16,29-30H,17-18H2
InChIKeyZMEDZXSPYLOCOM-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.79
Rot. Bonds6

About 1,3-bis[4-(2-hydroxyphenyl)phenyl]propan-2-one

1,3-bis[4-(2-hydroxyphenyl)phenyl]propan-2-one (PubChem CID 70549715) has the molecular formula C27H22O3 and a molecular weight of 394.47 g/mol. Its IUPAC name is 1,3-bis[4-(2-hydroxyphenyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1,3-bis[4-(2-hydroxyphenyl)phenyl]propan-2-one
PubChem CID70549715
Molecular FormulaC27H22O3
Molecular Weight394.47 g/mol
Exact Mass394.16
IUPAC Name1,3-bis[4-(2-hydroxyphenyl)phenyl]propan-2-one
SMILESO=C(Cc1ccc(-c2ccccc2O)cc1)Cc1ccc(-c2ccccc2O)cc1
InChIInChI=1S/C27H22O3/c28-23(17-19-9-13-21(14-10-19)24-5-1-3-7-26(24)29)18-20-11-15-22(16-12-20)25-6-2-4-8-27(25)30/h1-16,29-30H,17-18H2
InChIKeyZMEDZXSPYLOCOM-UHFFFAOYSA-N
XLogP5.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[4-(2-hydroxyphenyl)phenyl]propan-2-one?
The IUPAC name of 1,3-bis[4-(2-hydroxyphenyl)phenyl]propan-2-one (CID 70549715) is 1,3-bis[4-(2-hydroxyphenyl)phenyl]propan-2-one.
What is the SMILES notation for 1,3-bis[4-(2-hydroxyphenyl)phenyl]propan-2-one?
The canonical SMILES for 1,3-bis[4-(2-hydroxyphenyl)phenyl]propan-2-one is O=C(Cc1ccc(-c2ccccc2O)cc1)Cc1ccc(-c2ccccc2O)cc1.
What is the InChIKey of 1,3-bis[4-(2-hydroxyphenyl)phenyl]propan-2-one?
The InChIKey is ZMEDZXSPYLOCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O3/c28-23(17-19-9-13-21(14-10-19)24-5-1-3-7-26(24)29)18-20-11-15-22(16-12-20)25-6-2-4-8-27(25)30/h1-16,29-30H,17-18H2.
What are the key properties of 1,3-bis[4-(2-hydroxyphenyl)phenyl]propan-2-one?
1,3-bis[4-(2-hydroxyphenyl)phenyl]propan-2-one has a molecular weight of 394.47 g/mol, XLogP of 5.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[4-(2-hydroxyphenyl)phenyl]propan-2-one is sourced from PubChem (CID 70549715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).