2-(8-chloro-3-hydroxy-4-oxo-2-phenylchromen-6-yl)acetic acid

C17H11ClO5 — CID 5020313

IUPAC2-(8-chloro-3-hydroxy-4-oxo-2-phenylchromen-6-yl)acetic acid
SMILESO=C(O)Cc1cc(Cl)c2oc(-c3ccccc3)c(O)c(=O)c2c1
InChIInChI=1S/C17H11ClO5/c18-12-7-9(8-13(19)20)6-11-14(21)15(22)16(23-17(11)12)10-4-2-1-3-5-10/h1-7,22H,8H2,(H,19,20)
InChIKeySEPPGMWKNCBTCP-UHFFFAOYSA-N
MW330.72 g/mol
LogP3.45
Rot. Bonds3

About 2-(8-chloro-3-hydroxy-4-oxo-2-phenylchromen-6-yl)acetic acid

2-(8-chloro-3-hydroxy-4-oxo-2-phenylchromen-6-yl)acetic acid (PubChem CID 5020313) has the molecular formula C17H11ClO5 and a molecular weight of 330.72 g/mol. Its IUPAC name is 2-(8-chloro-3-hydroxy-4-oxo-2-phenylchromen-6-yl)acetic acid.

Molecular Properties

Compound Name2-(8-chloro-3-hydroxy-4-oxo-2-phenylchromen-6-yl)acetic acid
PubChem CID5020313
Molecular FormulaC17H11ClO5
Molecular Weight330.72 g/mol
Exact Mass330.03
IUPAC Name2-(8-chloro-3-hydroxy-4-oxo-2-phenylchromen-6-yl)acetic acid
SMILESO=C(O)Cc1cc(Cl)c2oc(-c3ccccc3)c(O)c(=O)c2c1
InChIInChI=1S/C17H11ClO5/c18-12-7-9(8-13(19)20)6-11-14(21)15(22)16(23-17(11)12)10-4-2-1-3-5-10/h1-7,22H,8H2,(H,19,20)
InChIKeySEPPGMWKNCBTCP-UHFFFAOYSA-N
XLogP3.45
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.72
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-3-hydroxy-4-oxo-2-phenylchromen-6-yl)acetic acid?
The IUPAC name of 2-(8-chloro-3-hydroxy-4-oxo-2-phenylchromen-6-yl)acetic acid (CID 5020313) is 2-(8-chloro-3-hydroxy-4-oxo-2-phenylchromen-6-yl)acetic acid.
What is the SMILES notation for 2-(8-chloro-3-hydroxy-4-oxo-2-phenylchromen-6-yl)acetic acid?
The canonical SMILES for 2-(8-chloro-3-hydroxy-4-oxo-2-phenylchromen-6-yl)acetic acid is O=C(O)Cc1cc(Cl)c2oc(-c3ccccc3)c(O)c(=O)c2c1.
What is the InChIKey of 2-(8-chloro-3-hydroxy-4-oxo-2-phenylchromen-6-yl)acetic acid?
The InChIKey is SEPPGMWKNCBTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClO5/c18-12-7-9(8-13(19)20)6-11-14(21)15(22)16(23-17(11)12)10-4-2-1-3-5-10/h1-7,22H,8H2,(H,19,20).
What are the key properties of 2-(8-chloro-3-hydroxy-4-oxo-2-phenylchromen-6-yl)acetic acid?
2-(8-chloro-3-hydroxy-4-oxo-2-phenylchromen-6-yl)acetic acid has a molecular weight of 330.72 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-3-hydroxy-4-oxo-2-phenylchromen-6-yl)acetic acid is sourced from PubChem (CID 5020313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).