2-(3-chloro-4-hydroxyphenyl)-6-hydroxy-3-propylchromen-4-one

C18H15ClO4 — CID 21283901

IUPAC2-(3-chloro-4-hydroxyphenyl)-6-hydroxy-3-propylchromen-4-one
SMILESCCCc1c(-c2ccc(O)c(Cl)c2)oc2ccc(O)cc2c1=O
InChIInChI=1S/C18H15ClO4/c1-2-3-12-17(22)13-9-11(20)5-7-16(13)23-18(12)10-4-6-15(21)14(19)8-10/h4-9,20-21H,2-3H2,1H3
InChIKeyLXYJHPLBZWUJPY-UHFFFAOYSA-N
MW330.77 g/mol
LogP4.48
Rot. Bonds3

About 2-(3-chloro-4-hydroxyphenyl)-6-hydroxy-3-propylchromen-4-one

2-(3-chloro-4-hydroxyphenyl)-6-hydroxy-3-propylchromen-4-one (PubChem CID 21283901) has the molecular formula C18H15ClO4 and a molecular weight of 330.77 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxyphenyl)-6-hydroxy-3-propylchromen-4-one.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxyphenyl)-6-hydroxy-3-propylchromen-4-one
PubChem CID21283901
Molecular FormulaC18H15ClO4
Molecular Weight330.77 g/mol
Exact Mass330.07
IUPAC Name2-(3-chloro-4-hydroxyphenyl)-6-hydroxy-3-propylchromen-4-one
SMILESCCCc1c(-c2ccc(O)c(Cl)c2)oc2ccc(O)cc2c1=O
InChIInChI=1S/C18H15ClO4/c1-2-3-12-17(22)13-9-11(20)5-7-16(13)23-18(12)10-4-6-15(21)14(19)8-10/h4-9,20-21H,2-3H2,1H3
InChIKeyLXYJHPLBZWUJPY-UHFFFAOYSA-N
XLogP4.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-6-hydroxy-3-propylchromen-4-one?
The IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-6-hydroxy-3-propylchromen-4-one (CID 21283901) is 2-(3-chloro-4-hydroxyphenyl)-6-hydroxy-3-propylchromen-4-one.
What is the SMILES notation for 2-(3-chloro-4-hydroxyphenyl)-6-hydroxy-3-propylchromen-4-one?
The canonical SMILES for 2-(3-chloro-4-hydroxyphenyl)-6-hydroxy-3-propylchromen-4-one is CCCc1c(-c2ccc(O)c(Cl)c2)oc2ccc(O)cc2c1=O.
What is the InChIKey of 2-(3-chloro-4-hydroxyphenyl)-6-hydroxy-3-propylchromen-4-one?
The InChIKey is LXYJHPLBZWUJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO4/c1-2-3-12-17(22)13-9-11(20)5-7-16(13)23-18(12)10-4-6-15(21)14(19)8-10/h4-9,20-21H,2-3H2,1H3.
What are the key properties of 2-(3-chloro-4-hydroxyphenyl)-6-hydroxy-3-propylchromen-4-one?
2-(3-chloro-4-hydroxyphenyl)-6-hydroxy-3-propylchromen-4-one has a molecular weight of 330.77 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxyphenyl)-6-hydroxy-3-propylchromen-4-one is sourced from PubChem (CID 21283901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).