8-chloro-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one

C16H11ClO4 — CID 154647308

IUPAC8-chloro-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3cccc(Cl)c3o2)cc1O
InChIInChI=1S/C16H11ClO4/c1-20-14-6-5-9(7-13(14)19)15-8-12(18)10-3-2-4-11(17)16(10)21-15/h2-8,19H,1H3
InChIKeyKTYZEOIPTHYZSF-UHFFFAOYSA-N
MW302.71 g/mol
LogP3.83
Rot. Bonds2

About 8-chloro-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one

8-chloro-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one (PubChem CID 154647308) has the molecular formula C16H11ClO4 and a molecular weight of 302.71 g/mol. Its IUPAC name is 8-chloro-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name8-chloro-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
PubChem CID154647308
Molecular FormulaC16H11ClO4
Molecular Weight302.71 g/mol
Exact Mass302.03
IUPAC Name8-chloro-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3cccc(Cl)c3o2)cc1O
InChIInChI=1S/C16H11ClO4/c1-20-14-6-5-9(7-13(14)19)15-8-12(18)10-3-2-4-11(17)16(10)21-15/h2-8,19H,1H3
InChIKeyKTYZEOIPTHYZSF-UHFFFAOYSA-N
XLogP3.83
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.71
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one?
The IUPAC name of 8-chloro-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one (CID 154647308) is 8-chloro-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 8-chloro-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 8-chloro-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one is COc1ccc(-c2cc(=O)c3cccc(Cl)c3o2)cc1O.
What is the InChIKey of 8-chloro-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one?
The InChIKey is KTYZEOIPTHYZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO4/c1-20-14-6-5-9(7-13(14)19)15-8-12(18)10-3-2-4-11(17)16(10)21-15/h2-8,19H,1H3.
What are the key properties of 8-chloro-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one?
8-chloro-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one has a molecular weight of 302.71 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 154647308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).