8-(chloromethyl)-4,6,9-trimethylfuro[2,3-h]chromen-2-one

C15H13ClO3 — CID 22889016

IUPAC8-(chloromethyl)-4,6,9-trimethylfuro[2,3-h]chromen-2-one
SMILESCc1cc(=O)oc2c1cc(C)c1oc(CCl)c(C)c12
InChIInChI=1S/C15H13ClO3/c1-7-5-12(17)19-15-10(7)4-8(2)14-13(15)9(3)11(6-16)18-14/h4-5H,6H2,1-3H3
InChIKeyAXRWBVNVYSXSFQ-UHFFFAOYSA-N
MW276.72 g/mol
LogP4.20
Rot. Bonds1

About 8-(chloromethyl)-4,6,9-trimethylfuro[2,3-h]chromen-2-one

8-(chloromethyl)-4,6,9-trimethylfuro[2,3-h]chromen-2-one (PubChem CID 22889016) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 8-(chloromethyl)-4,6,9-trimethylfuro[2,3-h]chromen-2-one.

Molecular Properties

Compound Name8-(chloromethyl)-4,6,9-trimethylfuro[2,3-h]chromen-2-one
PubChem CID22889016
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name8-(chloromethyl)-4,6,9-trimethylfuro[2,3-h]chromen-2-one
SMILESCc1cc(=O)oc2c1cc(C)c1oc(CCl)c(C)c12
InChIInChI=1S/C15H13ClO3/c1-7-5-12(17)19-15-10(7)4-8(2)14-13(15)9(3)11(6-16)18-14/h4-5H,6H2,1-3H3
InChIKeyAXRWBVNVYSXSFQ-UHFFFAOYSA-N
XLogP4.20
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethyl)-3,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 18612305
4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
8-(hydroxymethyl)-4,6,9-trimethyl-1H-furo[2,3-h]quinolin-2-one
CID 46883450
6-chloro-4,9-dimethylfuro[2,3-h]chromen-2-one
CID 102406727
2-(chloromethyl)-3,9-dimethyl-5-phenylfuro[3,2-g]chromen-7-one
CID 122537825
3-(chloromethyl)-9-methoxy-2,5-dimethylfuro[3,2-g]chromen-7-one
CID 22915343
4-methylpyrano[2,3-f]chromene-2,8-dione
CID 13165001
9-(2-hydroxyethoxymethyl)-2,3,5-trimethylfuro[3,2-g]chromen-7-one
CID 18421417
6,7-bis(2-chloroethyl)-4-methylchromen-2-one
CID 19392047
ethane-1,2-diamine;2,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 174817988
9-methoxy-2,3,5-trimethylfuro[3,2-g]chromen-7-one
CID 10106552
7-hydroxy-4,6-dimethyl-8-prop-2-enylchromen-2-one
CID 13298920

Frequently Asked Questions

What is the IUPAC name of 8-(chloromethyl)-4,6,9-trimethylfuro[2,3-h]chromen-2-one?
The IUPAC name of 8-(chloromethyl)-4,6,9-trimethylfuro[2,3-h]chromen-2-one (CID 22889016) is 8-(chloromethyl)-4,6,9-trimethylfuro[2,3-h]chromen-2-one.
What is the SMILES notation for 8-(chloromethyl)-4,6,9-trimethylfuro[2,3-h]chromen-2-one?
The canonical SMILES for 8-(chloromethyl)-4,6,9-trimethylfuro[2,3-h]chromen-2-one is Cc1cc(=O)oc2c1cc(C)c1oc(CCl)c(C)c12.
What is the InChIKey of 8-(chloromethyl)-4,6,9-trimethylfuro[2,3-h]chromen-2-one?
The InChIKey is AXRWBVNVYSXSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-7-5-12(17)19-15-10(7)4-8(2)14-13(15)9(3)11(6-16)18-14/h4-5H,6H2,1-3H3.
What are the key properties of 8-(chloromethyl)-4,6,9-trimethylfuro[2,3-h]chromen-2-one?
8-(chloromethyl)-4,6,9-trimethylfuro[2,3-h]chromen-2-one has a molecular weight of 276.72 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(chloromethyl)-4,6,9-trimethylfuro[2,3-h]chromen-2-one is sourced from PubChem (CID 22889016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).