9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one

C24H24O5 — CID 66834986

IUPAC9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
SMILESCC1(C)OC[C@H](COc2ccc3c(c2)C(=O)c2c(oc4ccccc24)C3(C)C)O1
InChIInChI=1S/C24H24O5/c1-23(2)18-10-9-14(26-12-15-13-27-24(3,4)29-15)11-17(18)21(25)20-16-7-5-6-8-19(16)28-22(20)23/h5-11,15H,12-13H2,1-4H3/t15-/m0/s1
InChIKeyMXFVODOZVZLHSF-HNNXBMFYSA-N
MW392.45 g/mol
LogP4.83
Rot. Bonds3

About 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one

9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one (PubChem CID 66834986) has the molecular formula C24H24O5 and a molecular weight of 392.45 g/mol. Its IUPAC name is 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one.

Molecular Properties

Compound Name9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
PubChem CID66834986
Molecular FormulaC24H24O5
Molecular Weight392.45 g/mol
Exact Mass392.16
IUPAC Name9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
SMILESCC1(C)OC[C@H](COc2ccc3c(c2)C(=O)c2c(oc4ccccc24)C3(C)C)O1
InChIInChI=1S/C24H24O5/c1-23(2)18-10-9-14(26-12-15-13-27-24(3,4)29-15)11-17(18)21(25)20-16-7-5-6-8-19(16)28-22(20)23/h5-11,15H,12-13H2,1-4H3/t15-/m0/s1
InChIKeyMXFVODOZVZLHSF-HNNXBMFYSA-N
XLogP4.83
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one?
The IUPAC name of 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one (CID 66834986) is 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one.
What is the SMILES notation for 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one?
The canonical SMILES for 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one is CC1(C)OC[C@H](COc2ccc3c(c2)C(=O)c2c(oc4ccccc24)C3(C)C)O1.
What is the InChIKey of 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one?
The InChIKey is MXFVODOZVZLHSF-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H24O5/c1-23(2)18-10-9-14(26-12-15-13-27-24(3,4)29-15)11-17(18)21(25)20-16-7-5-6-8-19(16)28-22(20)23/h5-11,15H,12-13H2,1-4H3/t15-/m0/s1.
What are the key properties of 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one?
9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one has a molecular weight of 392.45 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one is sourced from PubChem (CID 66834986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).