(5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one

C19H22O4 — CID 13347313

IUPAC(5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one
SMILESO=C(CCc1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)cc1
InChIInChI=1S/C19H22O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18,20-22H,5-6,11-13H2/t18-/m0/s1
InChIKeyZBFSUZGUYFFWGY-SFHVURJKSA-N
MW314.38 g/mol
LogP2.98
Rot. Bonds8

About (5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one

(5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one (PubChem CID 13347313) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is (5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one.

Molecular Properties

Compound Name(5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one
PubChem CID13347313
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name(5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one
SMILESO=C(CCc1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)cc1
InChIInChI=1S/C19H22O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18,20-22H,5-6,11-13H2/t18-/m0/s1
InChIKeyZBFSUZGUYFFWGY-SFHVURJKSA-N
XLogP2.98
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one?
The IUPAC name of (5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one (CID 13347313) is (5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one.
What is the SMILES notation for (5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one?
The canonical SMILES for (5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one is O=C(CCc1ccc(O)cc1)C[C@@H](O)CCc1ccc(O)cc1.
What is the InChIKey of (5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one?
The InChIKey is ZBFSUZGUYFFWGY-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18,20-22H,5-6,11-13H2/t18-/m0/s1.
What are the key properties of (5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one?
(5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one has a molecular weight of 314.38 g/mol, XLogP of 2.98, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one is sourced from PubChem (CID 13347313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).