5-hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one

C19H22O3 — CID 10040339

IUPAC5-hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one
SMILESO=C(CCc1ccccc1)CC(O)CCc1ccc(O)cc1
InChIInChI=1S/C19H22O3/c20-17-10-6-16(7-11-17)9-13-19(22)14-18(21)12-8-15-4-2-1-3-5-15/h1-7,10-11,19-20,22H,8-9,12-14H2
InChIKeyUNMNJFPAJOHXMT-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.28
Rot. Bonds8

About 5-hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one

5-hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one (PubChem CID 10040339) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 5-hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one.

Molecular Properties

Compound Name5-hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one
PubChem CID10040339
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name5-hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one
SMILESO=C(CCc1ccccc1)CC(O)CCc1ccc(O)cc1
InChIInChI=1S/C19H22O3/c20-17-10-6-16(7-11-17)9-13-19(22)14-18(21)12-8-15-4-2-1-3-5-15/h1-7,10-11,19-20,22H,8-9,12-14H2
InChIKeyUNMNJFPAJOHXMT-UHFFFAOYSA-N
XLogP3.28
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one?
The IUPAC name of 5-hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one (CID 10040339) is 5-hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one.
What is the SMILES notation for 5-hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one?
The canonical SMILES for 5-hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one is O=C(CCc1ccccc1)CC(O)CCc1ccc(O)cc1.
What is the InChIKey of 5-hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one?
The InChIKey is UNMNJFPAJOHXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c20-17-10-6-16(7-11-17)9-13-19(22)14-18(21)12-8-15-4-2-1-3-5-15/h1-7,10-11,19-20,22H,8-9,12-14H2.
What are the key properties of 5-hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one?
5-hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one has a molecular weight of 298.38 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one is sourced from PubChem (CID 10040339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).