acetic acid;(3-hydroxyphenyl)-[4-(4-hydroxyphenyl)phenyl]methanone

C23H22O7 — CID 86741070

IUPACacetic acid;(3-hydroxyphenyl)-[4-(4-hydroxyphenyl)phenyl]methanone
SMILESCC(=O)O.CC(=O)O.O=C(c1ccc(-c2ccc(O)cc2)cc1)c1cccc(O)c1
InChIInChI=1S/C19H14O3.2C2H4O2/c20-17-10-8-14(9-11-17)13-4-6-15(7-5-13)19(22)16-2-1-3-18(21)12-16;2*1-2(3)4/h1-12,20-21H;2*1H3,(H,3,4)
InChIKeyMVPBIOPMJWUHEZ-UHFFFAOYSA-N
MW410.42 g/mol
LogP4.18
Rot. Bonds3

About acetic acid;(3-hydroxyphenyl)-[4-(4-hydroxyphenyl)phenyl]methanone

acetic acid;(3-hydroxyphenyl)-[4-(4-hydroxyphenyl)phenyl]methanone (PubChem CID 86741070) has the molecular formula C23H22O7 and a molecular weight of 410.42 g/mol. Its IUPAC name is acetic acid;(3-hydroxyphenyl)-[4-(4-hydroxyphenyl)phenyl]methanone.

Molecular Properties

Compound Nameacetic acid;(3-hydroxyphenyl)-[4-(4-hydroxyphenyl)phenyl]methanone
PubChem CID86741070
Molecular FormulaC23H22O7
Molecular Weight410.42 g/mol
Exact Mass410.14
IUPAC Nameacetic acid;(3-hydroxyphenyl)-[4-(4-hydroxyphenyl)phenyl]methanone
SMILESCC(=O)O.CC(=O)O.O=C(c1ccc(-c2ccc(O)cc2)cc1)c1cccc(O)c1
InChIInChI=1S/C19H14O3.2C2H4O2/c20-17-10-8-14(9-11-17)13-4-6-15(7-5-13)19(22)16-2-1-3-18(21)12-16;2*1-2(3)4/h1-12,20-21H;2*1H3,(H,3,4)
InChIKeyMVPBIOPMJWUHEZ-UHFFFAOYSA-N
XLogP4.18
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 54.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of acetic acid;(3-hydroxyphenyl)-[4-(4-hydroxyphenyl)phenyl]methanone?
The IUPAC name of acetic acid;(3-hydroxyphenyl)-[4-(4-hydroxyphenyl)phenyl]methanone (CID 86741070) is acetic acid;(3-hydroxyphenyl)-[4-(4-hydroxyphenyl)phenyl]methanone.
What is the SMILES notation for acetic acid;(3-hydroxyphenyl)-[4-(4-hydroxyphenyl)phenyl]methanone?
The canonical SMILES for acetic acid;(3-hydroxyphenyl)-[4-(4-hydroxyphenyl)phenyl]methanone is CC(=O)O.CC(=O)O.O=C(c1ccc(-c2ccc(O)cc2)cc1)c1cccc(O)c1.
What is the InChIKey of acetic acid;(3-hydroxyphenyl)-[4-(4-hydroxyphenyl)phenyl]methanone?
The InChIKey is MVPBIOPMJWUHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3.2C2H4O2/c20-17-10-8-14(9-11-17)13-4-6-15(7-5-13)19(22)16-2-1-3-18(21)12-16;2*1-2(3)4/h1-12,20-21H;2*1H3,(H,3,4).
What are the key properties of acetic acid;(3-hydroxyphenyl)-[4-(4-hydroxyphenyl)phenyl]methanone?
acetic acid;(3-hydroxyphenyl)-[4-(4-hydroxyphenyl)phenyl]methanone has a molecular weight of 410.42 g/mol, XLogP of 4.18, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(3-hydroxyphenyl)-[4-(4-hydroxyphenyl)phenyl]methanone is sourced from PubChem (CID 86741070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).