8-chloro-3-(3,5-dichloro-4-hydroxyphenyl)-7-hydroxy-6-methoxychromen-4-one

C16H9Cl3O5 — CID 156580914

IUPAC8-chloro-3-(3,5-dichloro-4-hydroxyphenyl)-7-hydroxy-6-methoxychromen-4-one
SMILESCOc1cc2c(=O)c(-c3cc(Cl)c(O)c(Cl)c3)coc2c(Cl)c1O
InChIInChI=1S/C16H9Cl3O5/c1-23-11-4-7-13(20)8(5-24-16(7)12(19)15(11)22)6-2-9(17)14(21)10(18)3-6/h2-5,21-22H,1H3
InChIKeyKUZXAVKAFMYDGD-UHFFFAOYSA-N
MW387.60 g/mol
LogP4.84
Rot. Bonds2

About 8-chloro-3-(3,5-dichloro-4-hydroxyphenyl)-7-hydroxy-6-methoxychromen-4-one

8-chloro-3-(3,5-dichloro-4-hydroxyphenyl)-7-hydroxy-6-methoxychromen-4-one (PubChem CID 156580914) has the molecular formula C16H9Cl3O5 and a molecular weight of 387.60 g/mol. Its IUPAC name is 8-chloro-3-(3,5-dichloro-4-hydroxyphenyl)-7-hydroxy-6-methoxychromen-4-one.

Molecular Properties

Compound Name8-chloro-3-(3,5-dichloro-4-hydroxyphenyl)-7-hydroxy-6-methoxychromen-4-one
PubChem CID156580914
Molecular FormulaC16H9Cl3O5
Molecular Weight387.60 g/mol
Exact Mass385.95
IUPAC Name8-chloro-3-(3,5-dichloro-4-hydroxyphenyl)-7-hydroxy-6-methoxychromen-4-one
SMILESCOc1cc2c(=O)c(-c3cc(Cl)c(O)c(Cl)c3)coc2c(Cl)c1O
InChIInChI=1S/C16H9Cl3O5/c1-23-11-4-7-13(20)8(5-24-16(7)12(19)15(11)22)6-2-9(17)14(21)10(18)3-6/h2-5,21-22H,1H3
InChIKeyKUZXAVKAFMYDGD-UHFFFAOYSA-N
XLogP4.84
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.60
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one
CID 134691567
3-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
CID 91973754
6-bromo-3-(3,5-dibromo-4-hydroxyphenyl)-7-methoxychromen-4-one
CID 46928809
4,5-dichloro-6-hydroxy-2,7-dimethoxy-9-phenylxanthen-3-one;ethane
CID 91094390
6,8-dimethoxy-3-(6-methoxy-3-pyridinyl)chromen-4-one
CID 46843175
7-hydroxy-3-(3-hydroxy-5-methoxyphenyl)-6-methoxychromen-4-one
CID 16743458
3-(4-bromophenyl)-6-chloro-7-hydroxy-4-oxochromene-8-carbaldehyde
CID 58732641
3-(3,4-dimethoxyphenyl)-7,8-dimethoxychromen-4-one
CID 638205
5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxychromen-4-one
CID 5464170
7-hydroxy-5,8-dimethoxy-3-phenylchromen-4-one
CID 71418255
3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one
CID 631176
7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-methoxyphenyl)chromen-4-one
CID 169433907

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(3,5-dichloro-4-hydroxyphenyl)-7-hydroxy-6-methoxychromen-4-one?
The IUPAC name of 8-chloro-3-(3,5-dichloro-4-hydroxyphenyl)-7-hydroxy-6-methoxychromen-4-one (CID 156580914) is 8-chloro-3-(3,5-dichloro-4-hydroxyphenyl)-7-hydroxy-6-methoxychromen-4-one.
What is the SMILES notation for 8-chloro-3-(3,5-dichloro-4-hydroxyphenyl)-7-hydroxy-6-methoxychromen-4-one?
The canonical SMILES for 8-chloro-3-(3,5-dichloro-4-hydroxyphenyl)-7-hydroxy-6-methoxychromen-4-one is COc1cc2c(=O)c(-c3cc(Cl)c(O)c(Cl)c3)coc2c(Cl)c1O.
What is the InChIKey of 8-chloro-3-(3,5-dichloro-4-hydroxyphenyl)-7-hydroxy-6-methoxychromen-4-one?
The InChIKey is KUZXAVKAFMYDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl3O5/c1-23-11-4-7-13(20)8(5-24-16(7)12(19)15(11)22)6-2-9(17)14(21)10(18)3-6/h2-5,21-22H,1H3.
What are the key properties of 8-chloro-3-(3,5-dichloro-4-hydroxyphenyl)-7-hydroxy-6-methoxychromen-4-one?
8-chloro-3-(3,5-dichloro-4-hydroxyphenyl)-7-hydroxy-6-methoxychromen-4-one has a molecular weight of 387.60 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(3,5-dichloro-4-hydroxyphenyl)-7-hydroxy-6-methoxychromen-4-one is sourced from PubChem (CID 156580914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).