4-methoxyspiro[2-benzofuran-3,1'-cyclohexane]-1-one

C14H16O3 — CID 143197620

IUPAC4-methoxyspiro[2-benzofuran-3,1'-cyclohexane]-1-one
SMILESCOc1cccc2c1C1(CCCCC1)OC2=O
InChIInChI=1S/C14H16O3/c1-16-11-7-5-6-10-12(11)14(17-13(10)15)8-3-2-4-9-14/h5-7H,2-4,8-9H2,1H3
InChIKeyKXKODHWNVXZRBO-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.03
Rot. Bonds1

About 4-methoxyspiro[2-benzofuran-3,1'-cyclohexane]-1-one

4-methoxyspiro[2-benzofuran-3,1'-cyclohexane]-1-one (PubChem CID 143197620) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-methoxyspiro[2-benzofuran-3,1'-cyclohexane]-1-one.

Molecular Properties

Compound Name4-methoxyspiro[2-benzofuran-3,1'-cyclohexane]-1-one
PubChem CID143197620
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name4-methoxyspiro[2-benzofuran-3,1'-cyclohexane]-1-one
SMILESCOc1cccc2c1C1(CCCCC1)OC2=O
InChIInChI=1S/C14H16O3/c1-16-11-7-5-6-10-12(11)14(17-13(10)15)8-3-2-4-9-14/h5-7H,2-4,8-9H2,1H3
InChIKeyKXKODHWNVXZRBO-UHFFFAOYSA-N
XLogP3.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115097204
7-methoxy-2,2-dimethyl-1-benzofuran-3-one
CID 14126647
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CID 134962885
4-bromospiro[2-benzofuran-3,3'-piperidine]-1-one
CID 84715163
2-(1-aminocyclohexyl)-1-(2,6-dimethoxyphenyl)ethanone
CID 116811535
3-[4-(3-methoxyphenyl)phenyl]-1-oxaspiro[4.5]decane-2,4-dione
CID 90987552
1-(2-methoxy-6-methylsulfanylphenyl)cyclohexan-1-amine
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8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-oxirane]
CID 13270870
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CID 141355094

Frequently Asked Questions

What is the IUPAC name of 4-methoxyspiro[2-benzofuran-3,1'-cyclohexane]-1-one?
The IUPAC name of 4-methoxyspiro[2-benzofuran-3,1'-cyclohexane]-1-one (CID 143197620) is 4-methoxyspiro[2-benzofuran-3,1'-cyclohexane]-1-one.
What is the SMILES notation for 4-methoxyspiro[2-benzofuran-3,1'-cyclohexane]-1-one?
The canonical SMILES for 4-methoxyspiro[2-benzofuran-3,1'-cyclohexane]-1-one is COc1cccc2c1C1(CCCCC1)OC2=O.
What is the InChIKey of 4-methoxyspiro[2-benzofuran-3,1'-cyclohexane]-1-one?
The InChIKey is KXKODHWNVXZRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-16-11-7-5-6-10-12(11)14(17-13(10)15)8-3-2-4-9-14/h5-7H,2-4,8-9H2,1H3.
What are the key properties of 4-methoxyspiro[2-benzofuran-3,1'-cyclohexane]-1-one?
4-methoxyspiro[2-benzofuran-3,1'-cyclohexane]-1-one has a molecular weight of 232.28 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyspiro[2-benzofuran-3,1'-cyclohexane]-1-one is sourced from PubChem (CID 143197620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).