4-methoxyspiro[6,7-dihydro-2-benzofuran-3,4'-cyclohexane]-1,1'-dione

C14H16O4 — CID 163844180

IUPAC4-methoxyspiro[6,7-dihydro-2-benzofuran-3,4'-cyclohexane]-1,1'-dione
SMILESCOC1=CCCC2=C1C1(CCC(=O)CC1)OC2=O
InChIInChI=1S/C14H16O4/c1-17-11-4-2-3-10-12(11)14(18-13(10)16)7-5-9(15)6-8-14/h4H,2-3,5-8H2,1H3
InChIKeyOOQUUIHLBPGPQG-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.05
Rot. Bonds1

About 4-methoxyspiro[6,7-dihydro-2-benzofuran-3,4'-cyclohexane]-1,1'-dione

4-methoxyspiro[6,7-dihydro-2-benzofuran-3,4'-cyclohexane]-1,1'-dione (PubChem CID 163844180) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-methoxyspiro[6,7-dihydro-2-benzofuran-3,4'-cyclohexane]-1,1'-dione.

Molecular Properties

Compound Name4-methoxyspiro[6,7-dihydro-2-benzofuran-3,4'-cyclohexane]-1,1'-dione
PubChem CID163844180
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name4-methoxyspiro[6,7-dihydro-2-benzofuran-3,4'-cyclohexane]-1,1'-dione
SMILESCOC1=CCCC2=C1C1(CCC(=O)CC1)OC2=O
InChIInChI=1S/C14H16O4/c1-17-11-4-2-3-10-12(11)14(18-13(10)16)7-5-9(15)6-8-14/h4H,2-3,5-8H2,1H3
InChIKeyOOQUUIHLBPGPQG-UHFFFAOYSA-N
XLogP2.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Ethoxy-6,7,8,9,9a,9b-hexahydrobenzo[e][2]benzofuran-1,3-dione
CID 359542
methyl (2Z)-2-(4,5-diethyl-2-oxo-1-oxaspiro[5.5]undec-4-en-3-ylidene)acetate
CID 101543552
4,4-Diethyl-11-methyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),10-triene-7,13-dione
CID 12027690
Ethyl 2-methyl-4-methylidene-1-oxaspiro[4.5]dec-2-ene-3-carboxylate
CID 177384103
Spiro[6,7-dihydro-2-benzofuran-3,4'-cyclohexane]-1,1'-dione
CID 69259134
Dimethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
CID 177248602
Diethyl 1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
CID 177248614
ethyl 2-ethoxy-5,6,7,7a-tetrahydro-4H-indene-1-carboxylate
CID 14977331
2,2-diethyl-6-methyl-3H-furo[3,2-c]pyran-4-one
CID 101041220
4-(2-Oxoheptan-3-yl)furo[2,3-c]pyran-5-one
CID 101087058
ethyl 2-acetyloxy-3-methyl-5,6,7,7a-tetrahydro-4H-indene-1-carboxylate
CID 101434094

Frequently Asked Questions

What is the IUPAC name of 4-methoxyspiro[6,7-dihydro-2-benzofuran-3,4'-cyclohexane]-1,1'-dione?
The IUPAC name of 4-methoxyspiro[6,7-dihydro-2-benzofuran-3,4'-cyclohexane]-1,1'-dione (CID 163844180) is 4-methoxyspiro[6,7-dihydro-2-benzofuran-3,4'-cyclohexane]-1,1'-dione.
What is the SMILES notation for 4-methoxyspiro[6,7-dihydro-2-benzofuran-3,4'-cyclohexane]-1,1'-dione?
The canonical SMILES for 4-methoxyspiro[6,7-dihydro-2-benzofuran-3,4'-cyclohexane]-1,1'-dione is COC1=CCCC2=C1C1(CCC(=O)CC1)OC2=O.
What is the InChIKey of 4-methoxyspiro[6,7-dihydro-2-benzofuran-3,4'-cyclohexane]-1,1'-dione?
The InChIKey is OOQUUIHLBPGPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-17-11-4-2-3-10-12(11)14(18-13(10)16)7-5-9(15)6-8-14/h4H,2-3,5-8H2,1H3.
What are the key properties of 4-methoxyspiro[6,7-dihydro-2-benzofuran-3,4'-cyclohexane]-1,1'-dione?
4-methoxyspiro[6,7-dihydro-2-benzofuran-3,4'-cyclohexane]-1,1'-dione has a molecular weight of 248.28 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyspiro[6,7-dihydro-2-benzofuran-3,4'-cyclohexane]-1,1'-dione is sourced from PubChem (CID 163844180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).