7-chloro-4-hydroxybenzo[h]chromen-2-one

C13H7ClO3 — CID 131865681

IUPAC7-chloro-4-hydroxybenzo[h]chromen-2-one
SMILESO=c1cc(O)c2ccc3c(Cl)cccc3c2o1
InChIInChI=1S/C13H7ClO3/c14-10-3-1-2-8-7(10)4-5-9-11(15)6-12(16)17-13(8)9/h1-6,15H
InChIKeyWZQZQXIFBKMYTK-UHFFFAOYSA-N
MW246.65 g/mol
LogP3.31
Rot. Bonds

About 7-chloro-4-hydroxybenzo[h]chromen-2-one

7-chloro-4-hydroxybenzo[h]chromen-2-one (PubChem CID 131865681) has the molecular formula C13H7ClO3 and a molecular weight of 246.65 g/mol. Its IUPAC name is 7-chloro-4-hydroxybenzo[h]chromen-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxybenzo[h]chromen-2-one
PubChem CID131865681
Molecular FormulaC13H7ClO3
Molecular Weight246.65 g/mol
Exact Mass246.01
IUPAC Name7-chloro-4-hydroxybenzo[h]chromen-2-one
SMILESO=c1cc(O)c2ccc3c(Cl)cccc3c2o1
InChIInChI=1S/C13H7ClO3/c14-10-3-1-2-8-7(10)4-5-9-11(15)6-12(16)17-13(8)9/h1-6,15H
InChIKeyWZQZQXIFBKMYTK-UHFFFAOYSA-N
XLogP3.31
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.65
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4,8-dihydroxychromen-2-one
CID 54719604
4-hydroxy-8-methylchromen-2-one
CID 54676122
4-hydroxy-6-methoxybenzo[h]chromen-2-one
CID 54705476
6-bromo-8-chloro-4-hydroxychromen-2-one
CID 57372248
6,7-dichloro-4-hydroxychromen-2-one
CID 54738246
4-hydroxy-7-methoxy-8-methylchromen-2-one
CID 54728807
4,6,8-trihydroxychromen-2-one
CID 130131543
5-hydroxychromen-2-one
CID 5318179
4-hydroxy-8-methyl-7-(1-phenylethoxy)chromen-2-one
CID 54719972
3-amino-8-chloro-4-hydroxychromen-2-one
CID 130018302
8-chloro-1,3-benzoxazine-2,4-dione
CID 11571962
9-chloro-4-hydroxypyrano[3,2-c]chromene-2,5-dione
CID 54705919

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-hydroxybenzo[h]chromen-2-one?
The IUPAC name of 7-chloro-4-hydroxybenzo[h]chromen-2-one (CID 131865681) is 7-chloro-4-hydroxybenzo[h]chromen-2-one.
What is the SMILES notation for 7-chloro-4-hydroxybenzo[h]chromen-2-one?
The canonical SMILES for 7-chloro-4-hydroxybenzo[h]chromen-2-one is O=c1cc(O)c2ccc3c(Cl)cccc3c2o1.
What is the InChIKey of 7-chloro-4-hydroxybenzo[h]chromen-2-one?
The InChIKey is WZQZQXIFBKMYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClO3/c14-10-3-1-2-8-7(10)4-5-9-11(15)6-12(16)17-13(8)9/h1-6,15H.
What are the key properties of 7-chloro-4-hydroxybenzo[h]chromen-2-one?
7-chloro-4-hydroxybenzo[h]chromen-2-one has a molecular weight of 246.65 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-hydroxybenzo[h]chromen-2-one is sourced from PubChem (CID 131865681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).