8-chloro-2-(2-hydroxy-5-methylphenyl)chromen-4-one

C16H11ClO3 — CID 146460462

IUPAC8-chloro-2-(2-hydroxy-5-methylphenyl)chromen-4-one
SMILESCc1ccc(O)c(-c2cc(=O)c3cccc(Cl)c3o2)c1
InChIInChI=1S/C16H11ClO3/c1-9-5-6-13(18)11(7-9)15-8-14(19)10-3-2-4-12(17)16(10)20-15/h2-8,18H,1H3
InChIKeyPYVOZCZIEZYUJM-UHFFFAOYSA-N
MW286.71 g/mol
LogP4.13
Rot. Bonds1

About 8-chloro-2-(2-hydroxy-5-methylphenyl)chromen-4-one

8-chloro-2-(2-hydroxy-5-methylphenyl)chromen-4-one (PubChem CID 146460462) has the molecular formula C16H11ClO3 and a molecular weight of 286.71 g/mol. Its IUPAC name is 8-chloro-2-(2-hydroxy-5-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name8-chloro-2-(2-hydroxy-5-methylphenyl)chromen-4-one
PubChem CID146460462
Molecular FormulaC16H11ClO3
Molecular Weight286.71 g/mol
Exact Mass286.04
IUPAC Name8-chloro-2-(2-hydroxy-5-methylphenyl)chromen-4-one
SMILESCc1ccc(O)c(-c2cc(=O)c3cccc(Cl)c3o2)c1
InChIInChI=1S/C16H11ClO3/c1-9-5-6-13(18)11(7-9)15-8-14(19)10-3-2-4-12(17)16(10)20-15/h2-8,18H,1H3
InChIKeyPYVOZCZIEZYUJM-UHFFFAOYSA-N
XLogP4.13
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-2-(5-fluoro-2-hydroxyphenyl)chromen-4-one
CID 146460334
8-chloro-2-(6-hydroxy-1,3-benzodioxol-5-yl)chromen-4-one
CID 146460580
2-(2-hydroxyphenyl)-8-methylchromen-4-one
CID 90123995
8-chloro-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
CID 154647308
2-(4-bromophenyl)-8-chlorochromen-4-one
CID 164809854
3-[2-(8-chloro-4-oxochromen-2-yl)-5-methylphenoxy]-N-methylsulfonylcyclobutane-1-carboxamide
CID 146459984
[5-bromo-2-(8-chloro-4-oxochromen-2-yl)-4-methylphenyl] propanoate
CID 146460592
4-(8-chloro-4-oxochromen-2-yl)benzoic acid
CID 82043700
[4-(8-chloro-4-oxochromen-2-yl)phenyl] hypobromite
CID 146493383
1-[3-[2-(8-chloro-4-oxochromen-2-yl)-5-methylphenoxy]propyl]-3-(4-methylphenyl)sulfonylurea
CID 154928270
2-(3-chloro-2-methylphenyl)-4-methylphenol
CID 159941781
4-[2-(8-chloro-4-oxochromen-2-yl)-5-methoxy-4-methylphenoxy]butanoic acid
CID 146459946

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(2-hydroxy-5-methylphenyl)chromen-4-one?
The IUPAC name of 8-chloro-2-(2-hydroxy-5-methylphenyl)chromen-4-one (CID 146460462) is 8-chloro-2-(2-hydroxy-5-methylphenyl)chromen-4-one.
What is the SMILES notation for 8-chloro-2-(2-hydroxy-5-methylphenyl)chromen-4-one?
The canonical SMILES for 8-chloro-2-(2-hydroxy-5-methylphenyl)chromen-4-one is Cc1ccc(O)c(-c2cc(=O)c3cccc(Cl)c3o2)c1.
What is the InChIKey of 8-chloro-2-(2-hydroxy-5-methylphenyl)chromen-4-one?
The InChIKey is PYVOZCZIEZYUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO3/c1-9-5-6-13(18)11(7-9)15-8-14(19)10-3-2-4-12(17)16(10)20-15/h2-8,18H,1H3.
What are the key properties of 8-chloro-2-(2-hydroxy-5-methylphenyl)chromen-4-one?
8-chloro-2-(2-hydroxy-5-methylphenyl)chromen-4-one has a molecular weight of 286.71 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(2-hydroxy-5-methylphenyl)chromen-4-one is sourced from PubChem (CID 146460462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).