6-(2-hydroxyethoxy)chromen-2-one

C11H10O4 — CID 89388659

IUPAC6-(2-hydroxyethoxy)chromen-2-one
SMILESO=c1ccc2cc(OCCO)ccc2o1
InChIInChI=1S/C11H10O4/c12-5-6-14-9-2-3-10-8(7-9)1-4-11(13)15-10/h1-4,7,12H,5-6H2
InChIKeyFLFLJMZZMFNDFV-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.16
Rot. Bonds3

About 6-(2-hydroxyethoxy)chromen-2-one

6-(2-hydroxyethoxy)chromen-2-one (PubChem CID 89388659) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 6-(2-hydroxyethoxy)chromen-2-one.

Molecular Properties

Compound Name6-(2-hydroxyethoxy)chromen-2-one
PubChem CID89388659
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name6-(2-hydroxyethoxy)chromen-2-one
SMILESO=c1ccc2cc(OCCO)ccc2o1
InChIInChI=1S/C11H10O4/c12-5-6-14-9-2-3-10-8(7-9)1-4-11(13)15-10/h1-4,7,12H,5-6H2
InChIKeyFLFLJMZZMFNDFV-UHFFFAOYSA-N
XLogP1.16
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(8-hydroxyoctoxy)chromen-2-one
CID 11300756
7-(6-hydroxyhexoxy)chromen-2-one
CID 11369034
6-(2-oxopropoxy)chromen-2-one
CID 58420964
7-[11-[4-[4-(6-hydroxyhexoxy)phenyl]phenoxy]undecoxy]chromen-2-one
CID 91941162
N-hydroxy-6-(2-oxochromen-6-yl)oxyhexanamide
CID 86580851
6-(2-oxobutoxy)chromen-2-one
CID 90326922
6-phenylmethoxychromen-2-one
CID 59816113
6-phenacyloxychromen-2-one
CID 127037717
6-[2-oxo-2-(4-phenylphenyl)ethoxy]chromen-2-one
CID 127037718
7-(2-aminoethoxy)chromen-2-one
CID 82506816
7-[3,4-dihydroxy-3-(hydroxymethyl)butoxy]chromen-2-one
CID 12066855
4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol
CID 138483629

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethoxy)chromen-2-one?
The IUPAC name of 6-(2-hydroxyethoxy)chromen-2-one (CID 89388659) is 6-(2-hydroxyethoxy)chromen-2-one.
What is the SMILES notation for 6-(2-hydroxyethoxy)chromen-2-one?
The canonical SMILES for 6-(2-hydroxyethoxy)chromen-2-one is O=c1ccc2cc(OCCO)ccc2o1.
What is the InChIKey of 6-(2-hydroxyethoxy)chromen-2-one?
The InChIKey is FLFLJMZZMFNDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c12-5-6-14-9-2-3-10-8(7-9)1-4-11(13)15-10/h1-4,7,12H,5-6H2.
What are the key properties of 6-(2-hydroxyethoxy)chromen-2-one?
6-(2-hydroxyethoxy)chromen-2-one has a molecular weight of 206.20 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethoxy)chromen-2-one is sourced from PubChem (CID 89388659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).