4,6-dimethoxy-3'-methylspiro[2-benzofuran-3,2'-oxolane]-1-one

C14H16O5 — CID 101062400

IUPAC4,6-dimethoxy-3'-methylspiro[2-benzofuran-3,2'-oxolane]-1-one
SMILESCOc1cc(OC)c2c(c1)C(=O)OC21OCCC1C
InChIInChI=1S/C14H16O5/c1-8-4-5-18-14(8)12-10(13(15)19-14)6-9(16-2)7-11(12)17-3/h6-8H,4-5H2,1-3H3
InChIKeyVYHNPSCQGKDLTJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.08
Rot. Bonds2

About 4,6-dimethoxy-3'-methylspiro[2-benzofuran-3,2'-oxolane]-1-one

4,6-dimethoxy-3'-methylspiro[2-benzofuran-3,2'-oxolane]-1-one (PubChem CID 101062400) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4,6-dimethoxy-3'-methylspiro[2-benzofuran-3,2'-oxolane]-1-one.

Molecular Properties

Compound Name4,6-dimethoxy-3'-methylspiro[2-benzofuran-3,2'-oxolane]-1-one
PubChem CID101062400
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name4,6-dimethoxy-3'-methylspiro[2-benzofuran-3,2'-oxolane]-1-one
SMILESCOc1cc(OC)c2c(c1)C(=O)OC21OCCC1C
InChIInChI=1S/C14H16O5/c1-8-4-5-18-14(8)12-10(13(15)19-14)6-9(16-2)7-11(12)17-3/h6-8H,4-5H2,1-3H3
InChIKeyVYHNPSCQGKDLTJ-UHFFFAOYSA-N
XLogP2.08
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one
CID 138594881
6,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 24978119
3,5-dimethoxy-1,9-dimethyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-one
CID 101333295
(4S)-5,5-dimethyl-4-(2,4,6-trimethoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187776
3,7,9-trimethoxy-3-methyl-1,4,4a,10a-tetrahydrobenzo[g]isochromene-5,10-dione
CID 50936715
3-(2,4,6-trimethoxyphenyl)oxetane-3-carboxamide
CID 116876194
(1R)-4,6-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837577
2-(5,7-dimethoxy-1-methyl-3-oxo-2H-inden-1-yl)acetic acid
CID 82160061
7-methoxy-4-(2-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 12623955
7,9-dimethoxy-3-propan-2-yl-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 83218198
[3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol
CID 116829748
5,7-dimethoxy-3H-2-benzofuran-1-one
CID 7314397

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-3'-methylspiro[2-benzofuran-3,2'-oxolane]-1-one?
The IUPAC name of 4,6-dimethoxy-3'-methylspiro[2-benzofuran-3,2'-oxolane]-1-one (CID 101062400) is 4,6-dimethoxy-3'-methylspiro[2-benzofuran-3,2'-oxolane]-1-one.
What is the SMILES notation for 4,6-dimethoxy-3'-methylspiro[2-benzofuran-3,2'-oxolane]-1-one?
The canonical SMILES for 4,6-dimethoxy-3'-methylspiro[2-benzofuran-3,2'-oxolane]-1-one is COc1cc(OC)c2c(c1)C(=O)OC21OCCC1C.
What is the InChIKey of 4,6-dimethoxy-3'-methylspiro[2-benzofuran-3,2'-oxolane]-1-one?
The InChIKey is VYHNPSCQGKDLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-8-4-5-18-14(8)12-10(13(15)19-14)6-9(16-2)7-11(12)17-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 4,6-dimethoxy-3'-methylspiro[2-benzofuran-3,2'-oxolane]-1-one?
4,6-dimethoxy-3'-methylspiro[2-benzofuran-3,2'-oxolane]-1-one has a molecular weight of 264.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-3'-methylspiro[2-benzofuran-3,2'-oxolane]-1-one is sourced from PubChem (CID 101062400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).