2-(5-chloro-2-ethoxyphenyl)-3-hydroxychromen-4-one

C17H13ClO4 — CID 71733633

IUPAC2-(5-chloro-2-ethoxyphenyl)-3-hydroxychromen-4-one
SMILESCCOc1ccc(Cl)cc1-c1oc2ccccc2c(=O)c1O
InChIInChI=1S/C17H13ClO4/c1-2-21-13-8-7-10(18)9-12(13)17-16(20)15(19)11-5-3-4-6-14(11)22-17/h3-9,20H,2H2,1H3
InChIKeySREJVDUHZPQFPZ-UHFFFAOYSA-N
MW316.74 g/mol
LogP4.22
Rot. Bonds3

About 2-(5-chloro-2-ethoxyphenyl)-3-hydroxychromen-4-one

2-(5-chloro-2-ethoxyphenyl)-3-hydroxychromen-4-one (PubChem CID 71733633) has the molecular formula C17H13ClO4 and a molecular weight of 316.74 g/mol. Its IUPAC name is 2-(5-chloro-2-ethoxyphenyl)-3-hydroxychromen-4-one.

Molecular Properties

Compound Name2-(5-chloro-2-ethoxyphenyl)-3-hydroxychromen-4-one
PubChem CID71733633
Molecular FormulaC17H13ClO4
Molecular Weight316.74 g/mol
Exact Mass316.05
IUPAC Name2-(5-chloro-2-ethoxyphenyl)-3-hydroxychromen-4-one
SMILESCCOc1ccc(Cl)cc1-c1oc2ccccc2c(=O)c1O
InChIInChI=1S/C17H13ClO4/c1-2-21-13-8-7-10(18)9-12(13)17-16(20)15(19)11-5-3-4-6-14(11)22-17/h3-9,20H,2H2,1H3
InChIKeySREJVDUHZPQFPZ-UHFFFAOYSA-N
XLogP4.22
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-ethoxyphenyl)-3-hydroxychromen-4-one?
The IUPAC name of 2-(5-chloro-2-ethoxyphenyl)-3-hydroxychromen-4-one (CID 71733633) is 2-(5-chloro-2-ethoxyphenyl)-3-hydroxychromen-4-one.
What is the SMILES notation for 2-(5-chloro-2-ethoxyphenyl)-3-hydroxychromen-4-one?
The canonical SMILES for 2-(5-chloro-2-ethoxyphenyl)-3-hydroxychromen-4-one is CCOc1ccc(Cl)cc1-c1oc2ccccc2c(=O)c1O.
What is the InChIKey of 2-(5-chloro-2-ethoxyphenyl)-3-hydroxychromen-4-one?
The InChIKey is SREJVDUHZPQFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO4/c1-2-21-13-8-7-10(18)9-12(13)17-16(20)15(19)11-5-3-4-6-14(11)22-17/h3-9,20H,2H2,1H3.
What are the key properties of 2-(5-chloro-2-ethoxyphenyl)-3-hydroxychromen-4-one?
2-(5-chloro-2-ethoxyphenyl)-3-hydroxychromen-4-one has a molecular weight of 316.74 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-ethoxyphenyl)-3-hydroxychromen-4-one is sourced from PubChem (CID 71733633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).