[3-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-2-yl]-phenylmethanone

C27H18O3 — CID 10500598

IUPAC[3-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1oc2ccccc2c1-c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C27H18O3/c28-22-16-14-19(15-17-22)18-10-12-20(13-11-18)25-23-8-4-5-9-24(23)30-27(25)26(29)21-6-2-1-3-7-21/h1-17,28H
InChIKeyFJSNAACFUZKLBD-UHFFFAOYSA-N
MW390.44 g/mol
LogP6.70
Rot. Bonds4

About [3-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-2-yl]-phenylmethanone

[3-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-2-yl]-phenylmethanone (PubChem CID 10500598) has the molecular formula C27H18O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is [3-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-2-yl]-phenylmethanone
PubChem CID10500598
Molecular FormulaC27H18O3
Molecular Weight390.44 g/mol
Exact Mass390.13
IUPAC Name[3-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1oc2ccccc2c1-c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C27H18O3/c28-22-16-14-19(15-17-22)18-10-12-20(13-11-18)25-23-8-4-5-9-24(23)30-27(25)26(29)21-6-2-1-3-7-21/h1-17,28H
InChIKeyFJSNAACFUZKLBD-UHFFFAOYSA-N
XLogP6.70
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-2-yl]-phenylmethanone?
The IUPAC name of [3-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-2-yl]-phenylmethanone (CID 10500598) is [3-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-2-yl]-phenylmethanone.
What is the SMILES notation for [3-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-2-yl]-phenylmethanone?
The canonical SMILES for [3-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-2-yl]-phenylmethanone is O=C(c1ccccc1)c1oc2ccccc2c1-c1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of [3-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-2-yl]-phenylmethanone?
The InChIKey is FJSNAACFUZKLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18O3/c28-22-16-14-19(15-17-22)18-10-12-20(13-11-18)25-23-8-4-5-9-24(23)30-27(25)26(29)21-6-2-1-3-7-21/h1-17,28H.
What are the key properties of [3-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-2-yl]-phenylmethanone?
[3-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-2-yl]-phenylmethanone has a molecular weight of 390.44 g/mol, XLogP of 6.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-hydroxyphenyl)phenyl]-1-benzofuran-2-yl]-phenylmethanone is sourced from PubChem (CID 10500598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).