5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride

C16H13ClO5 — CID 175431329

IUPAC5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride
SMILESCOc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12.Cl
InChIInChI=1S/C16H12O5.ClH/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9;/h2-8,17,19H,1H3;1H
InChIKeyRDHQCBSDUKIONS-UHFFFAOYSA-N
MW320.73 g/mol
LogP3.30
Rot. Bonds2

About 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride

5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride (PubChem CID 175431329) has the molecular formula C16H13ClO5 and a molecular weight of 320.73 g/mol. Its IUPAC name is 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride.

Molecular Properties

Compound Name5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride
PubChem CID175431329
Molecular FormulaC16H13ClO5
Molecular Weight320.73 g/mol
Exact Mass320.05
IUPAC Name5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride
SMILESCOc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12.Cl
InChIInChI=1S/C16H12O5.ClH/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9;/h2-8,17,19H,1H3;1H
InChIKeyRDHQCBSDUKIONS-UHFFFAOYSA-N
XLogP3.30
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
CID 5281703
7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-olate
CID 86289529
5,7-dihydroxy-2-[4-(5-hydroxypentyl)phenyl]-8-methoxychromen-4-one
CID 164597629
5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one
CID 14889330
2-[4-(5-bromopentyl)phenyl]-5,7-dihydroxy-8-methoxychromen-4-one;ethane;methane
CID 164861386
6,8-dichloro-5,7-dimethoxy-2-phenylchromen-4-one
CID 15826150
(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid
CID 171395717
(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(5-hydroxy-8-methoxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid
CID 125039156
7-hydroxy-8-methoxy-2-phenyl-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 177417287
[5,7-dihydroxy-2-(3-methylphenyl)-4-oxochromen-8-yl] hydrogen sulfate
CID 155301521
5,7-dihydroxy-2-phenyl-8-thiophen-3-ylchromen-4-one
CID 54769632
5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one
CID 5281903

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride?
The IUPAC name of 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride (CID 175431329) is 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride.
What is the SMILES notation for 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride?
The canonical SMILES for 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride is COc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12.Cl.
What is the InChIKey of 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride?
The InChIKey is RDHQCBSDUKIONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5.ClH/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9;/h2-8,17,19H,1H3;1H.
What are the key properties of 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride?
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride has a molecular weight of 320.73 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride is sourced from PubChem (CID 175431329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).