3,3-bis[3-(methoxymethyl)phenyl]-2-benzofuran-1-one

C24H22O4 — CID 138632201

IUPAC3,3-bis[3-(methoxymethyl)phenyl]-2-benzofuran-1-one
SMILESCOCc1cccc(C2(c3cccc(COC)c3)OC(=O)c3ccccc32)c1
InChIInChI=1S/C24H22O4/c1-26-15-17-7-5-9-19(13-17)24(20-10-6-8-18(14-20)16-27-2)22-12-4-3-11-21(22)23(25)28-24/h3-14H,15-16H2,1-2H3
InChIKeySNWICFFKCQFIQB-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.44
Rot. Bonds6

About 3,3-bis[3-(methoxymethyl)phenyl]-2-benzofuran-1-one

3,3-bis[3-(methoxymethyl)phenyl]-2-benzofuran-1-one (PubChem CID 138632201) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3,3-bis[3-(methoxymethyl)phenyl]-2-benzofuran-1-one.

Molecular Properties

Compound Name3,3-bis[3-(methoxymethyl)phenyl]-2-benzofuran-1-one
PubChem CID138632201
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Name3,3-bis[3-(methoxymethyl)phenyl]-2-benzofuran-1-one
SMILESCOCc1cccc(C2(c3cccc(COC)c3)OC(=O)c3ccccc32)c1
InChIInChI=1S/C24H22O4/c1-26-15-17-7-5-9-19(13-17)24(20-10-6-8-18(14-20)16-27-2)22-12-4-3-11-21(22)23(25)28-24/h3-14H,15-16H2,1-2H3
InChIKeySNWICFFKCQFIQB-UHFFFAOYSA-N
XLogP4.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis[3-(methoxymethyl)phenyl]-2-benzofuran-1-one?
The IUPAC name of 3,3-bis[3-(methoxymethyl)phenyl]-2-benzofuran-1-one (CID 138632201) is 3,3-bis[3-(methoxymethyl)phenyl]-2-benzofuran-1-one.
What is the SMILES notation for 3,3-bis[3-(methoxymethyl)phenyl]-2-benzofuran-1-one?
The canonical SMILES for 3,3-bis[3-(methoxymethyl)phenyl]-2-benzofuran-1-one is COCc1cccc(C2(c3cccc(COC)c3)OC(=O)c3ccccc32)c1.
What is the InChIKey of 3,3-bis[3-(methoxymethyl)phenyl]-2-benzofuran-1-one?
The InChIKey is SNWICFFKCQFIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O4/c1-26-15-17-7-5-9-19(13-17)24(20-10-6-8-18(14-20)16-27-2)22-12-4-3-11-21(22)23(25)28-24/h3-14H,15-16H2,1-2H3.
What are the key properties of 3,3-bis[3-(methoxymethyl)phenyl]-2-benzofuran-1-one?
3,3-bis[3-(methoxymethyl)phenyl]-2-benzofuran-1-one has a molecular weight of 374.44 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis[3-(methoxymethyl)phenyl]-2-benzofuran-1-one is sourced from PubChem (CID 138632201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).