3-(2-chloroprop-2-enoxy)-8-hydroxy-4-methylchromen-2-one

C13H11ClO4 — CID 54328346

IUPAC3-(2-chloroprop-2-enoxy)-8-hydroxy-4-methylchromen-2-one
SMILESC=C(Cl)COc1c(C)c2cccc(O)c2oc1=O
InChIInChI=1S/C13H11ClO4/c1-7(14)6-17-11-8(2)9-4-3-5-10(15)12(9)18-13(11)16/h3-5,15H,1,6H2,2H3
InChIKeySWNWHZXMCGAJKP-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.94
Rot. Bonds3

About 3-(2-chloroprop-2-enoxy)-8-hydroxy-4-methylchromen-2-one

3-(2-chloroprop-2-enoxy)-8-hydroxy-4-methylchromen-2-one (PubChem CID 54328346) has the molecular formula C13H11ClO4 and a molecular weight of 266.68 g/mol. Its IUPAC name is 3-(2-chloroprop-2-enoxy)-8-hydroxy-4-methylchromen-2-one.

Molecular Properties

Compound Name3-(2-chloroprop-2-enoxy)-8-hydroxy-4-methylchromen-2-one
PubChem CID54328346
Molecular FormulaC13H11ClO4
Molecular Weight266.68 g/mol
Exact Mass266.03
IUPAC Name3-(2-chloroprop-2-enoxy)-8-hydroxy-4-methylchromen-2-one
SMILESC=C(Cl)COc1c(C)c2cccc(O)c2oc1=O
InChIInChI=1S/C13H11ClO4/c1-7(14)6-17-11-8(2)9-4-3-5-10(15)12(9)18-13(11)16/h3-5,15H,1,6H2,2H3
InChIKeySWNWHZXMCGAJKP-UHFFFAOYSA-N
XLogP2.94
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.94
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

3-(2-chloroprop-2-enoxy)-4-methylbenzo[c]chromen-6-one
CID 2062930
3-(2-chloroprop-2-enoxy)-2-methylphenol
CID 43143314
3-hex-3-enoxy-8-hydroxy-4-methoxychromen-2-one
CID 54540285
3-(2-chloroprop-2-enoxy)benzo[c]chromen-6-one
CID 806874
3,8-dihydroxy-4-propan-2-yloxychromen-2-one
CID 19929905
4,8-dihydroxy-3-(1-phenylpropyl)chromen-2-one
CID 71441489
8-amino-7-hydroxy-3,4-dimethylchromen-2-one
CID 124706841
1,5-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione
CID 10937982
7-hydroxy-3,4-dimethyl-8-prop-2-enylchromen-2-one
CID 6020802
3-hydroxy-4-methylbenzo[h]chromen-2-one
CID 154018255
3-chloro-7-hydroxy-4-methyl-8-prop-2-enylchromen-2-one
CID 14068749
(4,8-dihydroxy-2-oxochromen-3-yl) benzoate
CID 54690486

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroprop-2-enoxy)-8-hydroxy-4-methylchromen-2-one?
The IUPAC name of 3-(2-chloroprop-2-enoxy)-8-hydroxy-4-methylchromen-2-one (CID 54328346) is 3-(2-chloroprop-2-enoxy)-8-hydroxy-4-methylchromen-2-one.
What is the SMILES notation for 3-(2-chloroprop-2-enoxy)-8-hydroxy-4-methylchromen-2-one?
The canonical SMILES for 3-(2-chloroprop-2-enoxy)-8-hydroxy-4-methylchromen-2-one is C=C(Cl)COc1c(C)c2cccc(O)c2oc1=O.
What is the InChIKey of 3-(2-chloroprop-2-enoxy)-8-hydroxy-4-methylchromen-2-one?
The InChIKey is SWNWHZXMCGAJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO4/c1-7(14)6-17-11-8(2)9-4-3-5-10(15)12(9)18-13(11)16/h3-5,15H,1,6H2,2H3.
What are the key properties of 3-(2-chloroprop-2-enoxy)-8-hydroxy-4-methylchromen-2-one?
3-(2-chloroprop-2-enoxy)-8-hydroxy-4-methylchromen-2-one has a molecular weight of 266.68 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroprop-2-enoxy)-8-hydroxy-4-methylchromen-2-one is sourced from PubChem (CID 54328346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).