1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone

C15H16O4 — CID 177499030

IUPAC1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone
SMILESCC[C@@H]1C(C(C)=O)=C(C)Oc2cc3c(cc21)OCO3
InChIInChI=1S/C15H16O4/c1-4-10-11-5-13-14(18-7-17-13)6-12(11)19-9(3)15(10)8(2)16/h5-6,10H,4,7H2,1-3H3/t10-/m0/s1
InChIKeyFRPKKPYJMQKFGA-JTQLQIEISA-N
MW260.29 g/mol
LogP3.16
Rot. Bonds2

About 1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone

1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone (PubChem CID 177499030) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone.

Molecular Properties

Compound Name1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone
PubChem CID177499030
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone
SMILESCC[C@@H]1C(C(C)=O)=C(C)Oc2cc3c(cc21)OCO3
InChIInChI=1S/C15H16O4/c1-4-10-11-5-13-14(18-7-17-13)6-12(11)19-9(3)15(10)8(2)16/h5-6,10H,4,7H2,1-3H3/t10-/m0/s1
InChIKeyFRPKKPYJMQKFGA-JTQLQIEISA-N
XLogP3.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone?
The IUPAC name of 1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone (CID 177499030) is 1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone.
What is the SMILES notation for 1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone?
The canonical SMILES for 1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone is CC[C@@H]1C(C(C)=O)=C(C)Oc2cc3c(cc21)OCO3.
What is the InChIKey of 1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone?
The InChIKey is FRPKKPYJMQKFGA-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16O4/c1-4-10-11-5-13-14(18-7-17-13)6-12(11)19-9(3)15(10)8(2)16/h5-6,10H,4,7H2,1-3H3/t10-/m0/s1.
What are the key properties of 1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone?
1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone has a molecular weight of 260.29 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8S)-8-ethyl-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone is sourced from PubChem (CID 177499030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).