6-[(5-chloro-2-hydroxyphenyl)methyl]-5,7-dihydroxy-8-[(2-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one

C23H19ClO6 — CID 71194014

IUPAC6-[(5-chloro-2-hydroxyphenyl)methyl]-5,7-dihydroxy-8-[(2-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2c(Cc3ccccc3O)c(O)c(Cc3cc(Cl)ccc3O)c(O)c21
InChIInChI=1S/C23H19ClO6/c24-14-5-6-18(26)13(9-14)11-15-21(28)16(10-12-3-1-2-4-17(12)25)23-20(22(15)29)19(27)7-8-30-23/h1-6,9,25-26,28-29H,7-8,10-11H2
InChIKeyVOPNWFPVPHTNFB-UHFFFAOYSA-N
MW426.85 g/mol
LogP4.31
Rot. Bonds4

About 6-[(5-chloro-2-hydroxyphenyl)methyl]-5,7-dihydroxy-8-[(2-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one

6-[(5-chloro-2-hydroxyphenyl)methyl]-5,7-dihydroxy-8-[(2-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one (PubChem CID 71194014) has the molecular formula C23H19ClO6 and a molecular weight of 426.85 g/mol. Its IUPAC name is 6-[(5-chloro-2-hydroxyphenyl)methyl]-5,7-dihydroxy-8-[(2-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-[(5-chloro-2-hydroxyphenyl)methyl]-5,7-dihydroxy-8-[(2-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one
PubChem CID71194014
Molecular FormulaC23H19ClO6
Molecular Weight426.85 g/mol
Exact Mass426.09
IUPAC Name6-[(5-chloro-2-hydroxyphenyl)methyl]-5,7-dihydroxy-8-[(2-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2c(Cc3ccccc3O)c(O)c(Cc3cc(Cl)ccc3O)c(O)c21
InChIInChI=1S/C23H19ClO6/c24-14-5-6-18(26)13(9-14)11-15-21(28)16(10-12-3-1-2-4-17(12)25)23-20(22(15)29)19(27)7-8-30-23/h1-6,9,25-26,28-29H,7-8,10-11H2
InChIKeyVOPNWFPVPHTNFB-UHFFFAOYSA-N
XLogP4.31
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.85
LogP ≤ 54.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-hydroxyphenyl)methyl]-5,7-dihydroxy-8-[(2-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one?
The IUPAC name of 6-[(5-chloro-2-hydroxyphenyl)methyl]-5,7-dihydroxy-8-[(2-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one (CID 71194014) is 6-[(5-chloro-2-hydroxyphenyl)methyl]-5,7-dihydroxy-8-[(2-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-[(5-chloro-2-hydroxyphenyl)methyl]-5,7-dihydroxy-8-[(2-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-[(5-chloro-2-hydroxyphenyl)methyl]-5,7-dihydroxy-8-[(2-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one is O=C1CCOc2c(Cc3ccccc3O)c(O)c(Cc3cc(Cl)ccc3O)c(O)c21.
What is the InChIKey of 6-[(5-chloro-2-hydroxyphenyl)methyl]-5,7-dihydroxy-8-[(2-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one?
The InChIKey is VOPNWFPVPHTNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClO6/c24-14-5-6-18(26)13(9-14)11-15-21(28)16(10-12-3-1-2-4-17(12)25)23-20(22(15)29)19(27)7-8-30-23/h1-6,9,25-26,28-29H,7-8,10-11H2.
What are the key properties of 6-[(5-chloro-2-hydroxyphenyl)methyl]-5,7-dihydroxy-8-[(2-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one?
6-[(5-chloro-2-hydroxyphenyl)methyl]-5,7-dihydroxy-8-[(2-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one has a molecular weight of 426.85 g/mol, XLogP of 4.31, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-2-hydroxyphenyl)methyl]-5,7-dihydroxy-8-[(2-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 71194014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).